[8-acetyloxy-2,6-dimethylidene-8-phenylsulfanyl-4-(phenylsulfonyl)octyl] ethanoate

Systemtic Name: [8-acetyloxy-2,6-dimethylidene-8-phenylsulfanyl-4-(phenylsulfonyl)octyl] ethanoate Openeye Name: [8-acetoxy-4-(benzenesulfonyl)-2,6-dimethylene-8-phenylsulfanyl-octyl] acetate CAS Name: acetic acid [8-acetyloxy-4-(benzenesulfonyl)-2,6-dimethylene-8-(phenylthio)octyl] ester IUPAC Name: [8-acetyloxy-4-(benzenesulfonyl)-2,6-dimethylidene-8-phenylsulfanyloctyl] acetate Traditional Name: acetic acid [6-[2-acetoxy-2-(phenylthio)ethyl]-4-besyl-2-methylene-hept-6-enyl] ester Formula: C26H30O6S2 MolecularWeight: 502.6428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=C)CC(CC(=C)CC(OC(=O)C)SC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC(=C)CC(CC(=C)CC(OC(=O)C)SC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H30O6S2/c1-19(17-26(32-22(4)28)33-23-11-7-5-8-12-23)15-25(16-20(2)18-31-21(3)27)34(29,30)24-13-9-6-10-14-24/h5-14,25-26H,1-2,15-18H2,3-4H3