(6Z)-4-azanyl-3-[[5-[[4-chloranyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]-6-[[5-[(4-chloranyl-6-methyl-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]hydrazinylidene]-7-methyl-5-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (6Z)-4-azanyl-3-[[5-[[4-chloranyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]-6-[[5-[(4-chloranyl-6-methyl-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]hydrazinylidene]-7-methyl-5-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (6Z)-4-amino-3-[5-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]azo-6-[[5-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]hydrazono]-7-methyl-5-oxo-naphthalene-2-sulfonic acid CAS Name: (6Z)-4-amino-3-[5-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]azo-6-[[5-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]hydrazinylidene]-7-methyl-5-oxo-2-naphthalenesulfonic acid IUPAC Name: (6Z)-4-amino-3-[[5-[[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-6-[[5-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]hydrazinylidene]-7-methyl-5-oxonaphthalene-2-sulfonic acid Traditional Name: (6Z)-4-amino-6-[[5-[(4-chloro-6-methyl-s-triazin-2-yl)amino]-2-sulfo-phenyl]hydrazono]-3-[5-[[4-chloro-6-(p-toluidino)-s-triazin-2-yl]amino]-2-methyl-phenyl]azo-5-keto-7-methyl-naphthalene-2-sulfonic acid Formula: C38H32Cl2N14O7S2 MolecularWeight: 931.78628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)C)N=NC4=C(C=C5C=C(C(=NNC6=C(C=CC(=C6)NC7=NC(=NC(=N7)C)Cl)S(=O)(=O)O)C(=O)C5=C4N)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)C)N=NC4=C(C=C5C=C(/C(=N/NC6=C(C=CC(=C6)NC7=NC(=NC(=N7)C)Cl)S(=O)(=O)O)/C(=O)C5=C4N)C)S(=O)(=O)O

InChI

InChI=1S/C38H32Cl2N14O7S2/c1-17-5-8-22(9-6-17)44-37-48-35(40)49-38(50-37)46-23-10-7-18(2)25(15-23)51-54-32-28(63(59,60)61)14-21-13-19(3)31(33(55)29(21)30(32)41)53-52-26-16-24(11-12-27(26)62(56,57)58)45-36-43-20(4)42-34(39)47-36/h5-16,52H,41H2,1-4H3,(H,56,57,58)(H,59,60,61)(H,42,43,45,47)(H2,44,46,48,49,50)/b53-31-,54-51?