trisodium (3Z)-4-oxidanylidene-7-[(6-phenyldiazenyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (3Z)-4-oxidanylidene-7-[(6-phenyldiazenyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (3Z)-4-oxo-7-[(6-phenylazo-7-sulfonato-2-naphthyl)carbamoylamino]-3-[(6-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (3Z)-4-oxo-7-[[oxo-[(6-phenyldiazenyl-7-sulfonato-2-naphthalenyl)amino]methyl]amino]-3-[(6-sulfonato-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (3Z)-4-oxo-7-[(6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (3Z)-4-keto-7-[(6-phenylazo-7-sulfonato-2-naphthyl)carbamoylamino]-3-[(6-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate Formula: C37H23N6Na3O11S3 MolecularWeight: 892.77643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2)NC(=O)NC4=CC5=C(C=C4)C(=O)/C(=N/NC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)[O-])/C(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C37H26N6O11S3.3Na/c44-36-31-13-11-28(16-25(31)20-34(57(52,53)54)35(36)43-41-29-10-7-22-17-30(55(46,47)48)12-8-21(22)14-29)39-37(45)38-27-9-6-23-18-32(42-40-26-4-2-1-3-5-26)33(56(49,50)51)19-24(23)15-27;;;/h1-20,41H,(H2,38,39,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b42-40?,43-35+;;;