[(2E)-3,7-dimethyl-6-[1-oxidanyl-2-(phenylsulfonyl)ethyl]octa-2,6-dienyl] ethanoate

Systemtic Name: [(2E)-3,7-dimethyl-6-[1-oxidanyl-2-(phenylsulfonyl)ethyl]octa-2,6-dienyl] ethanoate Openeye Name: [(2E)-6-[2-(benzenesulfonyl)-1-hydroxy-ethyl]-3,7-dimethyl-octa-2,6-dienyl] acetate CAS Name: acetic acid [(2E)-6-[2-(benzenesulfonyl)-1-hydroxyethyl]-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2E)-6-[2-(benzenesulfonyl)-1-hydroxyethyl]-3,7-dimethylocta-2,6-dienyl] acetate Traditional Name: acetic acid [(2E)-6-(2-besyl-1-hydroxy-ethyl)-3,7-dimethyl-octa-2,6-dienyl] ester Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CCC(=CCOC(=O)C)C)C(CS(=O)(=O)C1=CC=CC=C1)O)C

Isomeric SMILES

CC(=C(CC/C(=C/COC(=O)C)/C)C(CS(=O)(=O)C1=CC=CC=C1)O)C

InChI

InChI=1S/C20H28O5S/c1-15(2)19(11-10-16(3)12-13-25-17(4)21)20(22)14-26(23,24)18-8-6-5-7-9-18/h5-9,12,20,22H,10-11,13-14H2,1-4H3/b16-12+