1-[(4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-carboxylic acid

Systemtic Name: 1-[(4-methyl-2-sulfo-phenyl)diazenyl]naphthalene-2-carboxylic acid Openeye Name: 1-(4-methyl-2-sulfo-phenyl)azonaphthalene-2-carboxylic acid CAS Name: 1-(4-methyl-2-sulfophenyl)azo-2-naphthalenecarboxylic acid IUPAC Name: 1-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid Traditional Name: 1-(4-methyl-2-sulfo-phenyl)azo-2-naphthoic acid Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H14N2O5S/c1-11-6-9-15(16(10-11)26(23,24)25)19-20-17-13-5-3-2-4-12(13)7-8-14(17)18(21)22/h2-10H,1H3,(H,21,22)(H,23,24,25)