S-ethyl (E)-2,4-dimethyl-3-oxidanyl-hept-4-enethioate

Systemtic Name: S-ethyl (E)-2,4-dimethyl-3-oxidanyl-hept-4-enethioate Openeye Name: S-ethyl (E)-3-hydroxy-2,4-dimethyl-hept-4-enethioate CAS Name: (E)-3-hydroxy-2,4-dimethyl-4-heptenethioic acid S-ethyl ester IUPAC Name: S-ethyl (E)-3-hydroxy-2,4-dimethylhept-4-enethioate Traditional Name: (E)-3-hydroxy-2,4-dimethyl-hept-4-enethioic acid S-ethyl ester Formula: C11H20O2S MolecularWeight: 216.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(C(C)C(=O)SCC)O

Isomeric SMILES

CC/C=C(\C)/C(C(C)C(=O)SCC)O

InChI

InChI=1S/C11H20O2S/c1-5-7-8(3)10(12)9(4)11(13)14-6-2/h7,9-10,12H,5-6H2,1-4H3/b8-7+