[(2S)-1-[3,4-bis(oxidanyl)phenyl]propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-[3,4-bis(oxidanyl)phenyl]propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-(3,4-dihydroxyphenyl)-1-methyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydroxyphenyl)propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-(3,4-dihydroxyphenyl)-1-methyl-ethyl] ester Formula: C16H18O5S MolecularWeight: 322.37612

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18O5S/c1-11-3-6-14(7-4-11)22(19,20)21-12(2)9-13-5-8-15(17)16(18)10-13/h3-8,10,12,17-18H,9H2,1-2H3/t12-/m0/s1