6-ethyl-9-methylsulfanyl-7-oxidanylidene-5-sulfanyl-nonanoic acid

Systemtic Name: 6-ethyl-9-methylsulfanyl-7-oxidanylidene-5-sulfanyl-nonanoic acid Openeye Name: 6-ethyl-9-methylsulfanyl-7-oxo-5-sulfanyl-nonanoic acid CAS Name: 6-ethyl-5-mercapto-9-(methylthio)-7-oxononanoic acid IUPAC Name: 6-ethyl-9-methylsulfanyl-7-oxo-5-sulfanylnonanoic acid Traditional Name: 6-ethyl-7-keto-5-mercapto-9-(methylthio)pelargonic acid Formula: C12H22O3S2 MolecularWeight: 278.43128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3S2/c1-3-9(10(13)7-8-17-2)11(16)5-4-6-12(14)15/h9,11,16H,3-8H2,1-2H3,(H,14,15)