2-[(2Z)-2-[7-[(3-aminophenyl)carbonylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-5-phenyldiazenyl-benzoic acid

Systemtic Name: 2-[(2Z)-2-[7-[(3-aminophenyl)carbonylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]-5-phenyldiazenyl-benzoic acid Openeye Name: 2-[(2Z)-2-[7-[(3-aminobenzoyl)amino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]-5-phenylazo-benzoic acid CAS Name: 2-[(2Z)-2-[7-[[(3-aminophenyl)-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]-5-phenyldiazenylbenzoic acid IUPAC Name: 2-[(2Z)-2-[7-[(3-aminobenzoyl)amino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]-5-phenyldiazenylbenzoic acid Traditional Name: 2-[(N'Z)-N'-[7-[(3-aminobenzoyl)amino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]-5-phenylazo-benzoic acid Formula: C30H22N6O7S MolecularWeight: 610.59668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C=C(C=C4)NC(=O)C5=CC(=CC=C5)N)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N/N=C/3\C(=CC4=C(C3=O)C=C(C=C4)NC(=O)C5=CC(=CC=C5)N)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C30H22N6O7S/c31-19-6-4-5-18(13-19)29(38)32-21-10-9-17-14-26(44(41,42)43)27(28(37)23(17)15-21)36-35-25-12-11-22(16-24(25)30(39)40)34-33-20-7-2-1-3-8-20/h1-16,35H,31H2,(H,32,38)(H,39,40)(H,41,42,43)/b34-33?,36-27+