2-[[4-[(4-azanyl-7-sulfo-naphthalen-1-yl)diazenyl]phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-[(4-azanyl-7-sulfo-naphthalen-1-yl)diazenyl]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[(4-amino-7-sulfo-1-naphthyl)azo]anilino]-2-oxo-acetic acid CAS Name: 2-[4-[(4-amino-7-sulfo-1-naphthalenyl)azo]anilino]-2-oxoacetic acid IUPAC Name: 2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]anilino]-2-oxoacetic acid Traditional Name: 2-[4-[(4-amino-7-sulfo-1-naphthyl)azo]anilino]-2-keto-acetic acid Formula: C18H14N4O6S MolecularWeight: 414.39196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(=O)O)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(=O)O)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C18H14N4O6S/c19-15-7-8-16(14-9-12(29(26,27)28)5-6-13(14)15)22-21-11-3-1-10(2-4-11)20-17(23)18(24)25/h1-9H,19H2,(H,20,23)(H,24,25)(H,26,27,28)