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

Systemtic Name: 1-[(2-methyl-4-sulfo-phenyl)diazenyl]naphthalene-2-sulfonic acid Openeye Name: 1-(2-methyl-4-sulfo-phenyl)azonaphthalene-2-sulfonic acid CAS Name: 1-(2-methyl-4-sulfophenyl)azo-2-naphthalenesulfonic acid IUPAC Name: 1-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid Traditional Name: 1-(2-methyl-4-sulfo-phenyl)azonaphthalene-2-sulfonic acid Formula: C17H14N2O6S2 MolecularWeight: 406.43286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6S2/c1-11-10-13(26(20,21)22)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)27(23,24)25/h2-10H,1H3,(H,20,21,22)(H,23,24,25)