[(2R)-2-[(1R,2S)-4-methyl-2-oxidanyl-cyclohex-3-en-1-yl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[(1R,2S)-4-methyl-2-oxidanyl-cyclohex-3-en-1-yl]propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[(1R,2S)-2-hydroxy-4-methyl-cyclohex-3-en-1-yl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[(1R,2S)-2-hydroxy-4-methyl-1-cyclohex-3-enyl]propyl] ester IUPAC Name: [(2R)-2-[(1R,2S)-2-hydroxy-4-methylcyclohex-3-en-1-yl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[(1R,2S)-2-hydroxy-4-methyl-cyclohex-3-en-1-yl]propyl] ester Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1)C(C)COS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4S/c1-12-4-7-15(8-5-12)22(19,20)21-11-14(3)16-9-6-13(2)10-17(16)18/h4-5,7-8,10,14,16-18H,6,9,11H2,1-3H3/t14-,16+,17+/m0/s1