[(2S)-2-(3-methoxy-2-propan-2-yloxy-phenyl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-(3-methoxy-2-propan-2-yloxy-phenyl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-2-(2-isopropoxy-3-methoxy-phenyl)ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-2-(2-isopropoxy-3-methoxy-phenyl)ethyl] ester Formula: C19H24O6S MolecularWeight: 380.45526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O6S/c1-13(2)25-19-16(6-5-7-18(19)23-4)17(20)12-24-26(21,22)15-10-8-14(3)9-11-15/h5-11,13,17,20H,12H2,1-4H3/t17-/m1/s1