[(Z)-3-(acetyloxymethyl)-7-methyl-7-(4-methylphenyl)sulfonyloxy-6-oxidanyl-oct-2-enyl] ethanoate

Systemtic Name: [(Z)-3-(acetyloxymethyl)-7-methyl-7-(4-methylphenyl)sulfonyloxy-6-oxidanyl-oct-2-enyl] ethanoate Openeye Name: [(Z)-3-(acetoxymethyl)-6-hydroxy-7-methyl-7-(p-tolylsulfonyloxy)oct-2-enyl] acetate CAS Name: acetic acid [(Z)-3-(acetyloxymethyl)-6-hydroxy-7-methyl-7-(4-methylphenyl)sulfonyloxyoct-2-enyl] ester IUPAC Name: [(Z)-3-(acetyloxymethyl)-6-hydroxy-7-methyl-7-(4-methylphenyl)sulfonyloxyoct-2-enyl] acetate Traditional Name: acetic acid [(Z)-3-(acetoxymethyl)-6-hydroxy-7-methyl-7-tosyloxy-oct-2-enyl] ester Formula: C21H30O8S MolecularWeight: 442.5231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)C(CCC(=CCOC(=O)C)COC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)C(CC/C(=C/COC(=O)C)/COC(=O)C)O

InChI

InChI=1S/C21H30O8S/c1-15-6-9-19(10-7-15)30(25,26)29-21(4,5)20(24)11-8-18(14-28-17(3)23)12-13-27-16(2)22/h6-7,9-10,12,20,24H,8,11,13-14H2,1-5H3/b18-12-