methyl 2-(2,6-dimethyl-4-oxidanylidene-heptan-3-yl)sulfanylethanoate

Systemtic Name: methyl 2-(2,6-dimethyl-4-oxidanylidene-heptan-3-yl)sulfanylethanoate Openeye Name: methyl 2-(1-isopropyl-4-methyl-2-oxo-pentyl)sulfanylacetate CAS Name: 2-[(2,6-dimethyl-4-oxoheptan-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-4-oxoheptan-3-yl)sulfanylacetate Traditional Name: 2-[(1-isopropyl-2-keto-4-methyl-pentyl)thio]acetic acid methyl ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(C)C)SCC(=O)OC

Isomeric SMILES

CC(C)CC(=O)C(C(C)C)SCC(=O)OC

InChI

InChI=1S/C12H22O3S/c1-8(2)6-10(13)12(9(3)4)16-7-11(14)15-5/h8-9,12H,6-7H2,1-5H3