2-sulfanylethanoyl (2Z)-2-propylideneoctanoate

Systemtic Name: 2-sulfanylethanoyl (2Z)-2-propylideneoctanoate Openeye Name: (2-sulfanylacetyl) (2Z)-2-propylideneoctanoate CAS Name: (2Z)-2-propylideneoctanoic acid (2-mercapto-1-oxoethyl) ester IUPAC Name: (2-sulfanylacetyl) (2Z)-2-propylideneoctanoate Traditional Name: (Z)-2-hexylpent-2-enoic acid (2-mercaptoacetyl) ester Formula: C13H22O3S MolecularWeight: 258.37698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CCC)C(=O)OC(=O)CS

Isomeric SMILES

CCCCCC/C(=C/CC)/C(=O)OC(=O)CS

InChI

InChI=1S/C13H22O3S/c1-3-5-6-7-9-11(8-4-2)13(15)16-12(14)10-17/h8,17H,3-7,9-10H2,1-2H3/b11-8-