2,6,6-trimethyl-1-(4-methylphenyl)-4-oxidanylidene-5,7-dihydroindole-3-sulfonic acid

Systemtic Name: 2,6,6-trimethyl-1-(4-methylphenyl)-4-oxidanylidene-5,7-dihydroindole-3-sulfonic acid Openeye Name: 2,6,6-trimethyl-4-oxo-1-(p-tolyl)-5,7-dihydroindole-3-sulfonic acid CAS Name: 2,6,6-trimethyl-1-(4-methylphenyl)-4-oxo-5,7-dihydroindole-3-sulfonic acid IUPAC Name: 2,6,6-trimethyl-1-(4-methylphenyl)-4-oxo-5,7-dihydroindole-3-sulfonic acid Traditional Name: 4-keto-2,6,6-trimethyl-1-(p-tolyl)-5,7-dihydroindole-3-sulfonic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C3=C2CC(CC3=O)(C)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C3=C2CC(CC3=O)(C)C)S(=O)(=O)O)C

InChI

InChI=1S/C18H21NO4S/c1-11-5-7-13(8-6-11)19-12(2)17(24(21,22)23)16-14(19)9-18(3,4)10-15(16)20/h5-8H,9-10H2,1-4H3,(H,21,22,23)