trisodium (3Z)-3-[(4-methoxyphenyl)hydrazinylidene]-5-[[(3Z)-3-[[4-[(4-nitro-2-sulfonato-phenyl)amino]phenyl]hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-3-[(4-methoxyphenyl)hydrazinylidene]-5-[[(3Z)-3-[[4-[(4-nitro-2-sulfonato-phenyl)amino]phenyl]hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-[(3Z)-6-hydroxy-3-[[4-(4-nitro-2-sulfonato-anilino)phenyl]hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]azo-3-[(4-methoxyphenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-[[(3Z)-6-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]azo]-3-[(4-methoxyphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-[[(3Z)-6-hydroxy-3-[[4-(4-nitro-2-sulfonatoanilino)phenyl]hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]diazenyl]-3-[(4-methoxyphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-[(3Z)-6-hydroxy-4-keto-3-[[4-(4-nitro-2-sulfonato-anilino)phenyl]hydrazono]cyclohexa-1,5-dien-1-yl]azo-4-keto-3-[(4-methoxyphenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C35H23N8Na3O15S3 MolecularWeight: 960.76603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)N=NC4=CC(=NNC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)C=C4O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)N=NC4=C/C(=N/NC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)[O-])/C(=O)C=C4O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C35H26N8O15S3.3Na/c1-58-23-9-6-21(7-10-23)38-42-34-32(61(55,56)57)13-18-12-24(59(49,50)51)15-28(33(18)35(34)46)41-40-27-16-26(29(44)17-30(27)45)39-37-20-4-2-19(3-5-20)36-25-11-8-22(43(47)48)14-31(25)60(52,53)54;;;/h2-17,36-38,45H,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3/b39-26-,41-40?,42-34+;;;