methyl 6-ethyl-7-oxidanylidene-5-sulfanyl-octanoate

Systemtic Name: methyl 6-ethyl-7-oxidanylidene-5-sulfanyl-octanoate Openeye Name: methyl 6-ethyl-7-oxo-5-sulfanyl-octanoate CAS Name: 6-ethyl-5-mercapto-7-oxooctanoic acid methyl ester IUPAC Name: methyl 6-ethyl-7-oxo-5-sulfanyloctanoate Traditional Name: 6-ethyl-7-keto-5-mercapto-caprylic acid methyl ester Formula: C11H20O3S MolecularWeight: 232.3397

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCC(=O)OC)S)C(=O)C

Isomeric SMILES

CCC(C(CCCC(=O)OC)S)C(=O)C

InChI

InChI=1S/C11H20O3S/c1-4-9(8(2)12)10(15)6-5-7-11(13)14-3/h9-10,15H,4-7H2,1-3H3