Mrv1652306031606472D 69 75 0 0 0 0 999 V2000 -2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 8.6625 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 0.0000 0.0000 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 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 9.9000 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 5.0013 9.4875 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 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4250 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 0.7145 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9500 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 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 8.6625 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 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 11.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 9.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 10.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 10.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 9.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 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 0.0000 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 9.4875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4454 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 9.4875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 18 1 1 0 0 0 0 19 5 1 0 0 0 0 19 17 2 0 0 0 0 20 11 2 0 0 0 0 20 12 1 0 0 0 0 21 11 1 0 0 0 0 21 13 2 0 0 0 0 22 6 1 0 0 0 0 23 14 1 0 0 0 0 23 20 1 0 0 0 0 24 8 1 0 0 0 0 24 22 2 0 0 0 0 25 9 1 0 0 0 0 26 15 2 0 0 0 0 27 16 2 0 0 0 0 27 26 1 0 0 0 0 28 15 1 0 0 0 0 29 14 2 0 0 0 0 30 16 1 0 0 0 0 30 28 2 0 0 0 0 31 7 2 0 0 0 0 32 13 1 0 0 0 0 32 23 2 0 0 0 0 33 12 2 0 0 0 0 33 29 1 0 0 0 0 34 22 1 0 0 0 0 34 25 2 0 0 0 0 34 31 1 0 0 0 0 35 19 1 0 0 0 0 39 36 2 0 0 0 0 40 18 2 0 0 0 0 40 26 1 4 0 0 0 41 25 1 4 0 0 0 41 37 2 0 0 0 0 42 36 1 0 0 0 0 42 37 1 0 0 0 0 43 36 1 0 0 0 0 43 38 2 0 0 0 0 44 37 1 0 0 0 0 44 38 1 0 0 0 0 45 24 1 0 0 0 0 46 27 1 0 0 0 0 47 28 1 4 0 0 0 47 45 2 0 0 0 0 48 29 1 4 0 0 0 48 46 2 0 0 0 0 49 10 2 0 0 0 0 49 17 1 0 0 0 0 49 38 1 0 0 0 0 50 18 1 0 0 0 0 51 35 2 0 0 0 0 52 35 1 0 0 0 0 65 2 1 0 0 0 0 65 30 1 0 0 0 0 66 21 1 0 0 0 0 66 53 2 0 0 0 0 66 54 2 0 0 0 0 66 55 1 0 0 0 0 67 31 1 0 0 0 0 67 56 1 0 0 0 0 67 57 2 0 0 0 0 67 58 2 0 0 0 0 68 32 1 0 0 0 0 68 59 2 0 0 0 0 68 60 2 0 0 0 0 68 61 1 0 0 0 0 69 33 1 0 0 0 0 69 62 1 0 0 0 0 69 63 2 0 0 0 0 69 64 2 0 0 0 0 M CHG 1 49 1 M END > CHEM043280 > chemdb > COC1=C(C=C(N=C(C)O)C(=C1)N=NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)N=NC1=C2C=CC=C(C2=C(C=C1)N=C1NC(=N)N=C(N1)[N+]1=CC=CC(=C1)C(O)=O)S(O)(=O)=O > InChI=1S/C38H29N11O16S4/c1-18(50)40-26-15-28(30(65-2)16-27(26)46-48-29-14-23-20(12-33(29)69(62,63)64)11-21(66(53,54)55)13-32(23)68(59,60)61)47-45-24-8-9-25(34-22(24)6-3-7-31(34)67(56,57)58)41-37-42-36(39)43-38(44-37)49-10-4-5-19(17-49)35(51)52/h3-17H,1-2H3,(H8-,39,40,41,42,43,44,47,48,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64)/p+1 > FXDZGEHGDLOBCJ-UHFFFAOYSA-O > C38H30N11O16S4 > 1024.96 > 1024.074935046 > 26 > 99 > 98.84821351639376 > 0 > 9 > 1 > 0 > 3-carboxy-1-(6-{[4-(2-{5-[(1-hydroxyethylidene)amino]-2-methoxy-4-[2-(3,6,8-trisulfonaphthalen-2-yl)diazen-1-yl]phenyl}diazen-1-yl)-8-sulfonaphthalen-1-yl]imino}-4-imino-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)-1lambda5-pyridin-1-ylium > -0.13 > 1.108871925194921 > -4.82 > 1 > 7 > -5 > -2.987936912026873 > -3.4906394437187886 > -5.925825445236296 > 422.54999999999995 > 261.6282000000001 > 13 > 0 > 1.61e-02 g/l > 3-carboxy-1-(4-{[4-(2-{5-[(1-hydroxyethylidene)amino]-2-methoxy-4-[2-(3,6,8-trisulfonaphthalen-2-yl)diazen-1-yl]phenyl}diazen-1-yl)-8-sulfonaphthalen-1-yl]imino}-6-imino-3,5-dihydro-1,3,5-triazin-2-yl)-1lambda5-pyridin-1-ylium > 0 > Pyridinium, 1-[4-[[4-[2-[5-(acetylamino)-2-methoxy-4-[2-(3,6,8-trisulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]-8-sulfo-1-naphthalenyl]amino]-6-amino-1,3,5-triazin-2-yl]-3-carboxy- > 1316184-44-7 $$$$