1-[(2-methoxy-5-methyl-4-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 1-[(2-methoxy-5-methyl-4-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid Openeye Name: 1-(2-methoxy-5-methyl-4-sulfo-phenyl)azonaphthalene-2-sulfonic acid CAS Name: 1-(2-methoxy-5-methyl-4-sulfophenyl)azo-2-naphthalenesulfonic acid IUPAC Name: 1-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid Traditional Name: 1-(2-methoxy-5-methyl-4-sulfo-phenyl)azonaphthalene-2-sulfonic acid Formula: C18H16N2O7S2 MolecularWeight: 436.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C18H16N2O7S2/c1-11-9-14(15(27-2)10-17(11)29(24,25)26)19-20-18-13-6-4-3-5-12(13)7-8-16(18)28(21,22)23/h3-10H,1-2H3,(H,21,22,23)(H,24,25,26)