5-ethanoylsulfanyl-2,2-dimethyl-octanoate

Systemtic Name: 5-ethanoylsulfanyl-2,2-dimethyl-octanoate Openeye Name: 5-acetylsulfanyl-2,2-dimethyl-octanoate CAS Name: 5-(acetylthio)-2,2-dimethyloctanoate IUPAC Name: 5-acetylsulfanyl-2,2-dimethyloctanoate Traditional Name: 5-(acetylthio)-2,2-dimethyl-caprylate Formula: C12H21O3S- MolecularWeight: 245.35834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C)(C)C(=O)[O-])SC(=O)C

Isomeric SMILES

CCCC(CCC(C)(C)C(=O)[O-])SC(=O)C

InChI

InChI=1S/C12H22O3S/c1-5-6-10(16-9(2)13)7-8-12(3,4)11(14)15/h10H,5-8H2,1-4H3,(H,14,15)/p-1