Mrv1652306031608432D 105113 0 0 0 0 999 V2000 4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -15.2625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.1473 -11.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -6.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -13.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -12.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -12.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -11.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -9.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5421 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8921 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9862 -9.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1612 -10.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -13.6125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 14 10 1 0 0 0 0 15 11 2 0 0 0 0 16 12 1 0 0 0 0 17 13 2 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 30 3 1 0 0 0 0 30 26 1 0 0 0 0 31 4 1 0 0 0 0 31 27 1 0 0 0 0 32 5 1 0 0 0 0 32 28 1 0 0 0 0 33 6 1 0 0 0 0 33 29 1 0 0 0 0 34 20 2 0 0 0 0 34 22 1 0 0 0 0 35 21 2 0 0 0 0 35 23 1 0 0 0 0 36 10 2 0 0 0 0 36 11 1 0 0 0 0 37 12 2 0 0 0 0 37 13 1 0 0 0 0 38 14 2 0 0 0 0 38 15 1 0 0 0 0 39 16 2 0 0 0 0 39 17 1 0 0 0 0 40 20 1 0 0 0 0 40 24 2 0 0 0 0 41 21 1 0 0 0 0 41 25 2 0 0 0 0 42 24 1 0 0 0 0 43 25 1 0 0 0 0 44 22 2 0 0 0 0 45 23 2 0 0 0 0 46 34 1 0 0 0 0 46 42 2 0 0 0 0 47 35 1 0 0 0 0 47 43 2 0 0 0 0 48 44 1 0 0 0 0 49 45 1 0 0 0 0 50 46 1 0 0 0 0 50 48 2 0 0 0 0 51 47 1 0 0 0 0 51 49 2 0 0 0 0 61 30 1 0 0 0 0 62 31 1 0 0 0 0 63 32 1 0 0 0 0 64 33 1 0 0 0 0 65 18 1 4 0 0 0 65 52 2 0 0 0 0 66 26 1 4 0 0 0 66 53 2 0 0 0 0 67 27 1 4 0 0 0 67 54 2 0 0 0 0 68 28 1 4 0 0 0 68 55 2 0 0 0 0 69 29 1 4 0 0 0 69 56 2 0 0 0 0 70 36 1 0 0 0 0 70 57 1 0 0 0 0 71 37 1 0 0 0 0 71 58 1 0 0 0 0 72 42 1 4 0 0 0 72 59 2 0 0 0 0 73 43 1 0 0 0 0 73 60 2 0 0 0 0 74 53 1 0 0 0 0 74 54 1 0 0 0 0 75 55 1 0 0 0 0 75 56 1 0 0 0 0 76 52 1 0 0 0 0 76 57 2 0 0 0 0 77 52 1 0 0 0 0 77 58 2 0 0 0 0 78 53 1 0 0 0 0 78 59 1 0 0 0 0 79 54 1 0 0 0 0 79 59 1 0 0 0 0 80 55 1 0 0 0 0 80 60 1 0 0 0 0 81 56 1 0 0 0 0 81 60 1 0 0 0 0 82 57 1 0 0 0 0 82 58 1 0 0 0 0 83 38 1 0 0 0 0 84 39 1 0 0 0 0 85 48 1 0 0 0 0 85 83 2 0 0 0 0 86 49 1 0 0 0 0 86 84 2 0 0 0 0 87 7 1 0 0 0 0 87 8 1 0 0 0 0 87 19 1 0 0 0 0 88 50 1 0 0 0 0 89 51 1 0 0 0 0 102 40 1 0 0 0 0 102 90 1 0 0 0 0 102 91 2 0 0 0 0 102 92 2 0 0 0 0 103 41 1 0 0 0 0 103 93 1 0 0 0 0 103 94 2 0 0 0 0 103 95 2 0 0 0 0 104 44 1 0 0 0 0 104 96 1 0 0 0 0 104 97 2 0 0 0 0 104 98 2 0 0 0 0 105 45 1 0 0 0 0 105 99 1 0 0 0 0 105100 2 0 0 0 0 105101 2 0 0 0 0 M CHG 1 61 1 M END > CHEM044976 > chemdb > CCN(CC)CCCN=C1N=C(NC2=CC=C(C=C2)\N=N\C2=C(O)C3=C(C=C(C=C3C=C2S(O)(=O)=O)S(O)(=O)=O)N=C2NC(NC(N2)=NCC(C)N)=NCC(C)N)NC(NC2=CC=C(C=C2)\N=N\C2=C(O)C3=C(C=C(C=C3C=C2S(O)(=O)=O)S(O)(=O)=O)N=C2NC(NC(N2)=NCC(C)[NH3+])=NCC(C)N)=N1 > InChI=1S/C60H77N27O14S4/c1-7-87(8-2)19-9-18-65-52-76-57(70-36-10-14-38(15-11-36)83-85-48-44(104(96,97)98)22-34-20-40(102(90,91)92)24-42(46(34)50(48)88)72-59-78-53(66-26-30(3)61)74-54(79-59)67-27-31(4)62)82-58(77-52)71-37-12-16-39(17-13-37)84-86-49-45(105(99,100)101)23-35-21-41(103(93,94)95)25-43(47(35)51(49)89)73-60-80-55(68-28-32(5)63)75-56(81-60)69-29-33(6)64/h10-17,20-25,30-33,88-89H,7-9,18-19,26-29,61-64H2,1-6H3,(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H3,65,70,71,76,77,82)(H3,66,67,72,74,78,79)(H3,68,69,73,75,80,81)/p+1/b85-83+,86-84+ > HJNRIUAWUKVWOI-QKERKZKXSA-O > C60H78N27O14S4 > 1529.7 > 1528.509891416 > 40 > 183 > 162.6126625236863 > 0 > 19 > 1 > 0 > 1-({4-[(2-aminopropyl)imino]-6-({7-[(E)-2-(4-{[6-({4-[(E)-2-[8-({4,6-bis[(2-aminopropyl)imino]-1,3,5-triazinan-2-ylidene}amino)-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazen-1-yl]phenyl}amino)-4-{[3-(diethylamino)propyl]imino}-1,4-dihydro-1,3,5-triazin-2-yl]amino}phenyl)diazen-1-yl]-8-hydroxy-3,6-disulfonaphthalen-1-yl}imino)-1,3,5-triazinan-2-ylidene}amino)propan-2-aminium > -0.16 > -0.29369181574031605 > -4.42 > 1 > 9 > 1 > -2.6464797503062147 > -3.105049293624309 > 9.834961892226794 > 635.8300000000003 > 412.4911000000001 > 28 > 0 > 5.96e-02 g/l > 1-({4-[(2-aminopropyl)imino]-6-({7-[(E)-2-(4-{[4-({4-[(E)-2-[8-({4,6-bis[(2-aminopropyl)imino]-1,3,5-triazinan-2-ylidene}amino)-1-hydroxy-3,6-disulfonaphthalen-2-yl]diazen-1-yl]phenyl}amino)-6-{[3-(diethylamino)propyl]imino}-3H-1,3,5-triazin-2-yl]amino}phenyl)diazen-1-yl]-8-hydroxy-3,6-disulfonaphthalen-1-yl}imino)-1,3,5-triazinan-2-ylidene}amino)propan-2-aminium > 0 > 3-(2,4-bis(4-((5-(4,6-bis(2-aminopropylamino)-1,3,5-triazin-2-ylamino)-4-hydroxy-2,7-disulfonaphthalen-3-yl)azo)phenylamino)-1,3,5-triazin-6-ylamino)propyldiethylammonium $$$$