O-ethyl [1-(4,4-dimethyl-1-oxidanyl-cyclohex-2-en-1-yl)-7,7-dimethyl-6-oxidanylidene-octan-3-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-(4,4-dimethyl-1-oxidanyl-cyclohex-2-en-1-yl)-7,7-dimethyl-6-oxidanylidene-octan-3-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[2-(1-hydroxy-4,4-dimethyl-cyclohex-2-en-1-yl)ethyl]-5,5-dimethyl-4-oxo-hexyl]sulfanylmethanethioate CAS Name: [[1-(1-hydroxy-4,4-dimethyl-1-cyclohex-2-enyl)-7,7-dimethyl-6-oxooctan-3-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-(1-hydroxy-4,4-dimethylcyclohex-2-en-1-yl)-7,7-dimethyl-6-oxooctan-3-yl]sulfanylmethanethioate Traditional Name: [[1-[2-(1-hydroxy-4,4-dimethyl-cyclohex-2-en-1-yl)ethyl]-4-keto-5,5-dimethyl-hexyl]thio]methanethioic acid O-ethyl ester Formula: C21H36O3S2 MolecularWeight: 400.63874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C(C)(C)C)CCC1(CCC(C=C1)(C)C)O

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C(C)(C)C)CCC1(CCC(C=C1)(C)C)O

InChI

InChI=1S/C21H36O3S2/c1-7-24-18(25)26-16(8-9-17(22)19(2,3)4)10-11-21(23)14-12-20(5,6)13-15-21/h12,14,16,23H,7-11,13,15H2,1-6H3