methyl 2-(2,6-dimethyl-4-oxidanylidene-heptyl)sulfanylethanoate

Systemtic Name: methyl 2-(2,6-dimethyl-4-oxidanylidene-heptyl)sulfanylethanoate Openeye Name: methyl 2-(2,6-dimethyl-4-oxo-heptyl)sulfanylacetate CAS Name: 2-[(2,6-dimethyl-4-oxoheptyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-4-oxoheptyl)sulfanylacetate Traditional Name: 2-[(4-keto-2,6-dimethyl-heptyl)thio]acetic acid methyl ester Formula: C12H22O3S MolecularWeight: 246.36628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)CC(C)CSCC(=O)OC

Isomeric SMILES

CC(C)CC(=O)CC(C)CSCC(=O)OC

InChI

InChI=1S/C12H22O3S/c1-9(2)5-11(13)6-10(3)7-16-8-12(14)15-4/h9-10H,5-8H2,1-4H3