[1-(phenylsulfonyl)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-yl] ethanoate

Systemtic Name: [1-(phenylsulfonyl)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-yl] ethanoate Openeye Name: [1-(benzenesulfonylmethyl)-3-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]propyl] acetate CAS Name: acetic acid [1-(benzenesulfonyl)-4-[(1R)-2,6,6-trimethyl-1-cyclohex-2-enyl]butan-2-yl] ester IUPAC Name: [1-(benzenesulfonyl)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-yl] acetate Traditional Name: acetic acid [1-(besylmethyl)-3-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]propyl] ester Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1CCC(CS(=O)(=O)C2=CC=CC=C2)OC(=O)C)(C)C

Isomeric SMILES

CC1=CCCC([C@H]1CCC(CS(=O)(=O)C2=CC=CC=C2)OC(=O)C)(C)C

InChI

InChI=1S/C21H30O4S/c1-16-9-8-14-21(3,4)20(16)13-12-18(25-17(2)22)15-26(23,24)19-10-6-5-7-11-19/h5-7,9-11,18,20H,8,12-15H2,1-4H3/t18?,20-/m0/s1