6-[(2,6-dimethylphenyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[(2,6-dimethylphenyl)amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-(2,6-dimethylanilino)-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-(2,6-dimethylanilino)-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-(2,6-dimethylanilino)-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-(2,6-dimethylanilino)-4-hydroxy-naphthalene-2-sulfonic acid Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C18H17NO4S/c1-11-4-3-5-12(2)18(11)19-14-7-6-13-8-15(24(21,22)23)10-17(20)16(13)9-14/h3-10,19-20H,1-2H3,(H,21,22,23)