S-(3-methyl-1-oxidanylidene-octan-3-yl) ethanethioate

Systemtic Name: S-(3-methyl-1-oxidanylidene-octan-3-yl) ethanethioate Openeye Name: S-[1-methyl-1-(2-oxoethyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-(3-methyl-1-oxooctan-3-yl) ester IUPAC Name: S-(3-methyl-1-oxooctan-3-yl) ethanethioate Traditional Name: ethanethioic acid S-[1-(2-ketoethyl)-1-methyl-hexyl] ester Formula: C11H20O2S MolecularWeight: 216.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CC=O)SC(=O)C

Isomeric SMILES

CCCCCC(C)(CC=O)SC(=O)C

InChI

InChI=1S/C11H20O2S/c1-4-5-6-7-11(3,8-9-12)14-10(2)13/h9H,4-8H2,1-3H3