[(5R)-5-[(E,1R)-1-(2-methoxyethoxymethoxy)-5-(4-methylphenyl)sulfonyloxy-pent-2-enyl]-2,6,6-trimethyl-cyclohexen-1-yl]methyl ethanoate

Systemtic Name: [(5R)-5-[(E,1R)-1-(2-methoxyethoxymethoxy)-5-(4-methylphenyl)sulfonyloxy-pent-2-enyl]-2,6,6-trimethyl-cyclohexen-1-yl]methyl ethanoate Openeye Name: [(5R)-5-[(E,1R)-1-(2-methoxyethoxymethoxy)-5-(p-tolylsulfonyloxy)pent-2-enyl]-2,6,6-trimethyl-cyclohexen-1-yl]methyl acetate CAS Name: acetic acid [(5R)-5-[(E,1R)-1-(2-methoxyethoxymethoxy)-5-(4-methylphenyl)sulfonyloxypent-2-enyl]-2,6,6-trimethyl-1-cyclohexenyl]methyl ester IUPAC Name: [(5R)-5-[(E,1R)-1-(2-methoxyethoxymethoxy)-5-(4-methylphenyl)sulfonyloxypent-2-enyl]-2,6,6-trimethylcyclohexen-1-yl]methyl acetate Traditional Name: acetic acid [(5R)-5-[(E,1R)-1-(2-methoxyethoxymethoxy)-5-tosyloxy-pent-2-enyl]-2,6,6-trimethyl-cyclohexen-1-yl]methyl ester Formula: C28H42O8S MolecularWeight: 538.69328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)C(C=CCCOS(=O)(=O)C2=CC=C(C=C2)C)OCOCCOC)(C)C)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H42O8S/c1-21-10-13-24(14-11-21)37(30,31)36-16-8-7-9-27(35-20-33-18-17-32-6)25-15-12-22(2)26(28(25,4)5)19-34-23(3)29/h7,9-11,13-14,25,27H,8,12,15-20H2,1-6H3/b9-7+/t25-,27+/m0/s1