trisodium (3Z)-5-azanyl-4-oxidanylidene-3-[[4-[[4-[(2Z)-2-(6-oxidanylidene-4-phenylazanyl-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]amino]-3-sulfonato-phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-azanyl-4-oxidanylidene-3-[[4-[[4-[(2Z)-2-(6-oxidanylidene-4-phenylazanyl-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]amino]-3-sulfonato-phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(4-anilino-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]anilino]-3-sulfonato-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(4-anilino-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(4-anilino-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-amino-3-[[4-[4-[(N'Z)-N'-(4-anilino-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]anilino]-3-sulfonato-phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C34H24N7Na3O11S3 MolecularWeight: 871.75897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(=O)C(=NNC3=CC=C(C=C3)NC4=C(C=C(C=C4)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=C2.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(=O)/C(=N\NC3=CC=C(C=C3)NC4=C(C=C(C=C4)N/N=C/5\C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C2.[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H27N7O11S3.3Na/c35-26-18-25(53(44,45)46)14-19-15-31(55(50,51)52)33(34(43)32(19)26)41-39-24-11-13-28(30(17-24)54(47,48)49)37-21-6-8-22(9-7-21)38-40-27-12-10-23(16-29(27)42)36-20-4-2-1-3-5-20;;;/h1-18,36-39H,35H2,(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b40-27-,41-33+;;;