methyl 5-butylsulfanyl-2,2-dimethyl-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-butylsulfanyl-2,2-dimethyl-4-oxidanylidene-pentanoate Openeye Name: methyl 5-butylsulfanyl-2,2-dimethyl-4-oxo-pentanoate CAS Name: 5-(butylthio)-2,2-dimethyl-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-butylsulfanyl-2,2-dimethyl-4-oxopentanoate Traditional Name: 5-(butylthio)-4-keto-2,2-dimethyl-valeric acid methyl ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)CC(C)(C)C(=O)OC

Isomeric SMILES

CCCCSCC(=O)CC(C)(C)C(=O)OC

InChI

InChI=1S/C12H22O3S/c1-5-6-7-16-9-10(13)8-12(2,3)11(14)15-4/h5-9H2,1-4H3