[(3S)-3-[(1S)-4-methylcyclohex-3-en-1-yl]-3-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-[(1S)-4-methylcyclohex-3-en-1-yl]-3-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-hydroxy-3-[(1S)-4-methylcyclohex-3-en-1-yl]butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-3-[(1S)-4-methyl-1-cyclohex-3-enyl]butyl] ester IUPAC Name: [(3S)-3-hydroxy-3-[(1S)-4-methylcyclohex-3-en-1-yl]butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-hydroxy-3-[(1S)-4-methylcyclohex-3-en-1-yl]butyl] ester Formula: C18H26O4S MolecularWeight: 338.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C(C)(CCOS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CC1=CC[C@H](CC1)[C@](C)(CCOS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H26O4S/c1-14-4-8-16(9-5-14)18(3,19)12-13-22-23(20,21)17-10-6-15(2)7-11-17/h4,6-7,10-11,16,19H,5,8-9,12-13H2,1-3H3/t16-,18+/m1/s1