Mrv1652306031608152D 82 87 0 0 0 0 999 V2000 -5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8250 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 -5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 7.4250 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 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 7.0125 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 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 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 -8.5737 5.7750 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 -5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 3.7125 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 -9.2881 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -5.3625 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 -5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -0.4125 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 -5.0013 -2.8875 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 -4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 7.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1131 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4631 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 -4.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5572 -5.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4631 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1131 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8743 -5.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -7.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5572 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 7.0125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -4.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 3.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -6.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 23 1 1 0 0 0 0 23 3 1 0 0 0 0 24 2 1 0 0 0 0 24 4 1 0 0 0 0 25 5 1 0 0 0 0 25 19 2 0 0 0 0 26 6 1 0 0 0 0 26 20 2 0 0 0 0 27 7 1 0 0 0 0 27 21 2 0 0 0 0 28 8 1 0 0 0 0 28 22 2 0 0 0 0 29 21 1 0 0 0 0 30 22 1 0 0 0 0 31 9 1 0 0 0 0 31 29 2 0 0 0 0 32 10 1 0 0 0 0 32 30 2 0 0 0 0 33 19 1 0 0 0 0 33 23 2 0 0 0 0 34 20 1 0 0 0 0 34 24 2 0 0 0 0 41 25 1 4 0 0 0 41 35 2 0 0 0 0 42 26 1 4 0 0 0 42 36 2 0 0 0 0 43 29 1 4 0 0 0 43 37 2 0 0 0 0 44 30 1 4 0 0 0 44 38 2 0 0 0 0 45 35 1 0 0 0 0 45 37 1 0 0 0 0 46 36 1 0 0 0 0 46 38 1 0 0 0 0 47 35 1 0 0 0 0 47 39 2 0 0 0 0 48 36 1 0 0 0 0 48 40 2 0 0 0 0 49 37 1 0 0 0 0 49 39 1 0 0 0 0 50 38 1 0 0 0 0 50 40 1 0 0 0 0 51 11 1 0 0 0 0 51 12 1 0 0 0 0 51 39 1 0 0 0 0 52 13 1 0 0 0 0 52 14 1 0 0 0 0 52 40 1 0 0 0 0 53 15 1 0 0 0 0 54 16 1 0 0 0 0 55 17 1 0 0 0 0 56 18 1 0 0 0 0 75 27 1 0 0 0 0 75 57 1 0 0 0 0 75 58 2 0 0 0 0 75 59 2 0 0 0 0 76 28 1 0 0 0 0 76 60 1 0 0 0 0 76 61 2 0 0 0 0 76 62 2 0 0 0 0 77 31 1 0 0 0 0 77 63 1 0 0 0 0 77 64 2 0 0 0 0 77 65 2 0 0 0 0 78 32 1 0 0 0 0 78 66 1 0 0 0 0 78 67 2 0 0 0 0 78 68 2 0 0 0 0 79 33 1 0 0 0 0 79 69 1 0 0 0 0 79 70 2 0 0 0 0 79 71 2 0 0 0 0 80 34 1 0 0 0 0 80 72 1 0 0 0 0 80 73 2 0 0 0 0 80 74 2 0 0 0 0 81 1 1 0 0 0 0 82 2 1 0 0 0 0 M END > CHEM044453 > chemdb > [H]\C(=C(\[H])C1=C(C=C(C=C1)N=C1NC(NC(=N1)N(CCO)CCO)=NC1=C(C=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C1=C(C=C(C=C1)N=C1NC(NC(=N1)N(CCO)CCO)=NC1=C(C=CC(=C1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O > InChI=1S/C40H44N12O22S6/c53-15-11-51(12-16-54)39-47-35(45-37(49-39)43-29-21-27(75(57,58)59)7-9-31(29)77(63,64)65)41-25-5-3-23(33(19-25)79(69,70)71)1-2-24-4-6-26(20-34(24)80(72,73)74)42-36-46-38(50-40(48-36)52(13-17-55)14-18-56)44-30-22-28(76(60,61)62)8-10-32(30)78(66,67)68/h1-10,19-22,53-56H,11-18H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b2-1+ > IWCYXDKDGNKCFU-OWOJBTEDSA-N > C40H44N12O22S6 > 1237.21 > 1236.101738149 > 34 > 124 > 117.75677210907016 > 0 > 14 > 0 > 0 > 2-({6-[bis(2-hydroxyethyl)amino]-4-({4-[(E)-2-[4-({4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfophenyl)imino]-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene}amino)-2-sulfophenyl]ethenyl]-3-sulfophenyl}imino)-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene}amino)benzene-1,4-disulfonic acid > -1.75 > -0.972674313999999 > -4.15 > 1 > 6 > -6 > -2.9910040614051034 > -3.4004765294771078 > -7.088694224982764 > 535.9000000000001 > 287.2360000000003 > 22 > 0 > 8.74e-02 g/l > 2-({4-[bis(2-hydroxyethyl)amino]-6-({4-[(E)-2-[4-({4-[bis(2-hydroxyethyl)amino]-6-[(2,5-disulfophenyl)imino]-1,5-dihydro-1,3,5-triazin-2-ylidene}amino)-2-sulfophenyl]ethenyl]-3-sulfophenyl}imino)-1,3-dihydro-1,3,5-triazin-2-ylidene}amino)benzene-1,4-disulfonic acid > 0 > 2,2'-[vinylenebis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulfonic acid) > 114456-70-1 $$$$