5-(2-methylpropanoylsulfanyl)octanoate

Systemtic Name: 5-(2-methylpropanoylsulfanyl)octanoate Openeye Name: 5-(2-methylpropanoylsulfanyl)octanoate CAS Name: 5-[(2-methyl-1-oxopropyl)thio]octanoate IUPAC Name: 5-(2-methylpropanoylsulfanyl)octanoate Traditional Name: 5-(isobutyrylthio)caprylate Formula: C12H21O3S- MolecularWeight: 245.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3S/c1-4-6-10(7-5-8-11(13)14)16-12(15)9(2)3/h9-10H,4-8H2,1-3H3,(H,13,14)/p-1