[2-methyl-3-(4-methylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-3-(4-methylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-2-methyl-3-oxo-3-(p-tolyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-methyl-3-(4-methylphenyl)-3-oxopropyl] ester IUPAC Name: [2-hydroxy-2-methyl-3-(4-methylphenyl)-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-keto-2-methyl-3-(p-tolyl)propyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)(COS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)(COS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H20O5S/c1-13-4-8-15(9-5-13)17(19)18(3,20)12-23-24(21,22)16-10-6-14(2)7-11-16/h4-11,20H,12H2,1-3H3