3-[(2-ethyl-3-oxidanylidene-butyl)sulfanylmethyl]pentan-2-one

Systemtic Name: 3-[(2-ethyl-3-oxidanylidene-butyl)sulfanylmethyl]pentan-2-one Openeye Name: 3-[(2-ethyl-3-oxo-butyl)sulfanylmethyl]pentan-2-one CAS Name: 3-[[(2-ethyl-3-oxobutyl)thio]methyl]-2-pentanone IUPAC Name: 3-[(2-ethyl-3-oxobutyl)sulfanylmethyl]pentan-2-one Traditional Name: 3-[[(2-ethyl-3-keto-butyl)thio]methyl]pentan-2-one Formula: C12H22O2S MolecularWeight: 230.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSCC(CC)C(=O)C)C(=O)C

Isomeric SMILES

CCC(CSCC(CC)C(=O)C)C(=O)C

InChI

InChI=1S/C12H22O2S/c1-5-11(9(3)13)7-15-8-12(6-2)10(4)14/h11-12H,5-8H2,1-4H3