trisodium (3Z)-6-[[2,4-bis(azanyl)phenyl]diazenyl]-4-oxidanylidene-3-[[4-[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3Z)-6-[[2,4-bis(azanyl)phenyl]diazenyl]-4-oxidanylidene-3-[[4-[4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-6-(2,4-diaminophenyl)azo-4-oxo-3-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3Z)-6-(2,4-diaminophenyl)azo-4-oxo-3-[[4-[4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2-sulfonatophenyl]-3-sulfonatophenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-6-[(2,4-diaminophenyl)diazenyl]-4-oxo-3-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-sulfonatophenyl]-3-sulfonatophenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3Z)-6-(2,4-diaminophenyl)azo-4-keto-3-[[4-[4-[N'-(4-ketocyclohexa-2,5-dien-1-ylidene)hydrazino]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazono]naphthalene-2-sulfonate Formula: C34H23N8Na3O11S3 MolecularWeight: 884.75773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=NNC2=CC(=C(C=C2)C3=C(C=C(C=C3)NN=C4C(=CC5=C(C4=O)C=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=O)C=CC1=NNC2=CC(=C(C=C2)C3=C(C=C(C=C3)N/N=C/4\C(=CC5=C(C4=O)C=C(C=C5)N=NC6=C(C=C(C=C6)N)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H26N8O11S3.3Na/c35-19-2-12-29(28(36)14-19)41-39-21-3-1-18-13-32(56(51,52)53)33(34(44)27(18)15-21)42-40-23-7-11-26(31(17-23)55(48,49)50)25-10-6-22(16-30(25)54(45,46)47)38-37-20-4-8-24(43)9-5-20;;;/h1-17,38,40H,35-36H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b41-39?,42-33+;;;