[(6Z)-2-(4,8-dimethyl-5-oxidanylidene-non-7-enyl)-2-methyl-6-(2-methylsulfanylethylidene)oxepan-3-yl] ethanoate

Systemtic Name: [(6Z)-2-(4,8-dimethyl-5-oxidanylidene-non-7-enyl)-2-methyl-6-(2-methylsulfanylethylidene)oxepan-3-yl] ethanoate Openeye Name: [(6Z)-2-(4,8-dimethyl-5-oxo-non-7-enyl)-2-methyl-6-(2-methylsulfanylethylidene)oxepan-3-yl] acetate CAS Name: acetic acid [(6Z)-2-(4,8-dimethyl-5-oxonon-7-enyl)-2-methyl-6-[2-(methylthio)ethylidene]-3-oxepanyl] ester IUPAC Name: [(6Z)-2-(4,8-dimethyl-5-oxonon-7-enyl)-2-methyl-6-(2-methylsulfanylethylidene)oxepan-3-yl] acetate Traditional Name: acetic acid [(6Z)-2-(5-keto-4,8-dimethyl-non-7-enyl)-2-methyl-6-[2-(methylthio)ethylidene]oxepan-3-yl] ester Formula: C23H38O4S MolecularWeight: 410.61042

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(C(CCC(=CCSC)CO1)OC(=O)C)C)C(=O)CC=C(C)C

Isomeric SMILES

CC(CCCC1(C(CC/C(=C/CSC)/CO1)OC(=O)C)C)C(=O)CC=C(C)C

InChI

InChI=1S/C23H38O4S/c1-17(2)9-11-21(25)18(3)8-7-14-23(5)22(27-19(4)24)12-10-20(16-26-23)13-15-28-6/h9,13,18,22H,7-8,10-12,14-16H2,1-6H3/b20-13-