[(2S)-1-oxidanylidene-1-(3,4,5-trimethoxyphenyl)propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-oxidanylidene-1-(3,4,5-trimethoxyphenyl)propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-1-methyl-2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-oxo-1-(3,4,5-trimethoxyphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(3,4,5-trimethoxyphenyl)propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-keto-1-methyl-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C19H22O7S MolecularWeight: 394.43878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C19H22O7S/c1-12-6-8-15(9-7-12)27(21,22)26-13(2)18(20)14-10-16(23-3)19(25-5)17(11-14)24-4/h6-11,13H,1-5H3/t13-/m0/s1