[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-ethyl] ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H22O5S/c1-13-5-8-16(9-6-13)24(19,20)23-14(2)11-15-7-10-17(21-3)18(12-15)22-4/h5-10,12,14H,11H2,1-4H3/t14-/m0/s1