3-[[4-[4-[[2,4-bis(azanyl)-5-methyl-3-[[4-[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-[[4-[4-[[2,4-bis(azanyl)-5-methyl-3-[[4-[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-[[4-[4-[2,4-diamino-5-methyl-3-[4-[(6-sulfo-2-naphthyl)carbamoyl]phenyl]azo-phenyl]azophenyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-[[4-[4-[2,4-diamino-5-methyl-3-[4-[oxo-[(6-sulfo-2-naphthalenyl)amino]methyl]phenyl]azophenyl]azophenyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-[[4-[4-[[2,4-diamino-5-methyl-3-[[4-[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-[[4-[4-[2,4-diamino-5-methyl-3-[4-[(6-sulfo-2-naphthyl)carbamoyl]phenyl]azo-phenyl]azophenyl]phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C43H33N9O7S MolecularWeight: 819.84322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)N)N=NC5=CC=C(C=C5)C6=CC=C(C=C6)NN=C7C=CC(=O)C(=C7)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)N)N=NC5=CC=C(C=C5)C6=CC=C(C=C6)NN=C7C=CC(=O)C(=C7)C(=O)O

InChI

InChI=1S/C43H33N9O7S/c1-24-20-37(51-48-31-12-4-26(5-13-31)25-2-10-30(11-3-25)47-50-34-17-19-38(53)36(23-34)43(55)56)40(45)41(39(24)44)52-49-32-14-6-27(7-15-32)42(54)46-33-16-8-29-22-35(60(57,58)59)18-9-28(29)21-33/h2-23,47H,44-45H2,1H3,(H,46,54)(H,55,56)(H,57,58,59)