2,2-dimethyl-5-(2-methylpropanoylsulfanyl)octanoate

Systemtic Name: 2,2-dimethyl-5-(2-methylpropanoylsulfanyl)octanoate Openeye Name: 2,2-dimethyl-5-(2-methylpropanoylsulfanyl)octanoate CAS Name: 2,2-dimethyl-5-[(2-methyl-1-oxopropyl)thio]octanoate IUPAC Name: 2,2-dimethyl-5-(2-methylpropanoylsulfanyl)octanoate Traditional Name: 5-(isobutyrylthio)-2,2-dimethyl-caprylate Formula: C14H25O3S- MolecularWeight: 273.4115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26O3S/c1-6-7-11(18-12(15)10(2)3)8-9-14(4,5)13(16)17/h10-11H,6-9H2,1-5H3,(H,16,17)/p-1