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

Systemtic Name: 1-(4-chlorophenyl)-2,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindole-3-sulfonic acid Openeye Name: 1-(4-chlorophenyl)-2,6,6-trimethyl-4-oxo-5,7-dihydroindole-3-sulfonic acid CAS Name: 1-(4-chlorophenyl)-2,6,6-trimethyl-4-oxo-5,7-dihydroindole-3-sulfonic acid IUPAC Name: 1-(4-chlorophenyl)-2,6,6-trimethyl-4-oxo-5,7-dihydroindole-3-sulfonic acid Traditional Name: 1-(4-chlorophenyl)-4-keto-2,6,6-trimethyl-5,7-dihydroindole-3-sulfonic acid Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=C(C=C3)Cl)CC(CC2=O)(C)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=C(C=C3)Cl)CC(CC2=O)(C)C)S(=O)(=O)O

InChI

InChI=1S/C17H18ClNO4S/c1-10-16(24(21,22)23)15-13(8-17(2,3)9-14(15)20)19(10)12-6-4-11(18)5-7-12/h4-7H,8-9H2,1-3H3,(H,21,22,23)