propan-2-yl 6-ethyl-9-methylsulfanyl-7-oxidanylidene-5-sulfanyl-nonanoate

Systemtic Name: propan-2-yl 6-ethyl-9-methylsulfanyl-7-oxidanylidene-5-sulfanyl-nonanoate Openeye Name: isopropyl 6-ethyl-9-methylsulfanyl-7-oxo-5-sulfanyl-nonanoate CAS Name: 6-ethyl-5-mercapto-9-(methylthio)-7-oxononanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-ethyl-9-methylsulfanyl-7-oxo-5-sulfanylnonanoate Traditional Name: 6-ethyl-7-keto-5-mercapto-9-(methylthio)pelargonic acid isopropyl ester Formula: C15H28O3S2 MolecularWeight: 320.51102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28O3S2/c1-5-12(13(16)9-10-20-4)14(19)7-6-8-15(17)18-11(2)3/h11-12,14,19H,5-10H2,1-4H3