[(2R,3S)-3-oxidanyl-4-phenylmethoxy-butan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3S)-3-oxidanyl-4-phenylmethoxy-butan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S)-3-benzyloxy-2-hydroxy-1-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3S)-3-hydroxy-4-phenylmethoxybutan-2-yl] ester IUPAC Name: [(2R,3S)-3-hydroxy-4-phenylmethoxybutan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S)-3-benzoxy-2-hydroxy-1-methyl-propyl] ester Formula: C18H22O5S MolecularWeight: 350.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(COCC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C)[C@H](COCC2=CC=CC=C2)O

InChI

InChI=1S/C18H22O5S/c1-14-8-10-17(11-9-14)24(20,21)23-15(2)18(19)13-22-12-16-6-4-3-5-7-16/h3-11,15,18-19H,12-13H2,1-2H3/t15-,18+/m1/s1