1-[(4-methylphenyl)diazenyl]-3-oxidanyl-4-sulfo-naphthalene-2-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)diazenyl]-3-oxidanyl-4-sulfo-naphthalene-2-carboxylic acid Openeye Name: 3-hydroxy-1-(p-tolylazo)-4-sulfo-naphthalene-2-carboxylic acid CAS Name: 3-hydroxy-1-(4-methylphenyl)azo-4-sulfo-2-naphthalenecarboxylic acid IUPAC Name: 3-hydroxy-1-[(4-methylphenyl)diazenyl]-4-sulfonaphthalene-2-carboxylic acid Traditional Name: 3-hydroxy-1-(p-tolylazo)-4-sulfo-2-naphthoic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C(C(=C(C3=CC=CC=C32)S(=O)(=O)O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C(C(=C(C3=CC=CC=C32)S(=O)(=O)O)O)C(=O)O

InChI

InChI=1S/C18H14N2O6S/c1-10-6-8-11(9-7-10)19-20-15-12-4-2-3-5-13(12)17(27(24,25)26)16(21)14(15)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)