4-oxidanylidene-7-phenylazanyl-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: 4-oxidanylidene-7-phenylazanyl-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: 7-anilino-4-oxo-3-[[6-sulfonato-4-[[6-sulfonato-4-(3-sulfonatophenyl)azo-1-naphthyl]azo]-1-naphthyl]hydrazono]naphthalene-2-sulfonate CAS Name: 7-anilino-4-oxo-3-[[6-sulfonato-4-[[6-sulfonato-4-(3-sulfonatophenyl)azo-1-naphthalenyl]azo]-1-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: 7-anilino-4-oxo-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: 7-anilino-4-keto-3-[[6-sulfonato-4-[[6-sulfonato-4-(3-sulfonatophenyl)azo-1-naphthyl]azo]-1-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C42H25N7O13S4-4 MolecularWeight: 963.947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C5C=CC(=CC5=C(C=C4)N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC(=CC=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C5C=CC(=CC5=C(C=C4)N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC(=CC=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C42H29N7O13S4/c50-42-31-12-9-26(43-25-5-2-1-3-6-25)19-24(31)20-40(66(60,61)62)41(42)49-48-37-16-18-39(35-23-30(65(57,58)59)11-14-33(35)37)47-46-36-15-17-38(34-22-29(64(54,55)56)10-13-32(34)36)45-44-27-7-4-8-28(21-27)63(51,52)53/h1-23,43,48H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/p-4