6-methylheptyl 2-sulfanylbutanoate

Systemtic Name: 6-methylheptyl 2-sulfanylbutanoate Openeye Name: 6-methylheptyl 2-sulfanylbutanoate CAS Name: 2-mercaptobutanoic acid 6-methylheptyl ester IUPAC Name: 6-methylheptyl 2-sulfanylbutanoate Traditional Name: 2-mercaptobutyric acid 6-methylheptyl ester Formula: C12H24O2S MolecularWeight: 232.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCCCCCC(C)C)S

Isomeric SMILES

CCC(C(=O)OCCCCCC(C)C)S

InChI

InChI=1S/C12H24O2S/c1-4-11(15)12(13)14-9-7-5-6-8-10(2)3/h10-11,15H,4-9H2,1-3H3