[4-[(S)-oxidanyl-[(2R)-oxiran-2-yl]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(S)-oxidanyl-[(2R)-oxiran-2-yl]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(S)-hydroxy-[(2R)-oxiran-2-yl]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(S)-hydroxy-[(2R)-2-oxiranyl]methyl]phenyl] ester IUPAC Name: [4-[(S)-hydroxy-[(2R)-oxiran-2-yl]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(S)-hydroxy-[(2R)-oxiran-2-yl]methyl]phenyl] ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C3CO3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[C@@H]([C@H]3CO3)O

InChI

InChI=1S/C16H16O5S/c1-11-2-8-14(9-3-11)22(18,19)21-13-6-4-12(5-7-13)16(17)15-10-20-15/h2-9,15-17H,10H2,1H3/t15-,16+/m1/s1