ethyl (3E,5E)-2-ethanoylsulfanyl-2-methyl-octa-3,5-dienoate

Systemtic Name: ethyl (3E,5E)-2-ethanoylsulfanyl-2-methyl-octa-3,5-dienoate Openeye Name: ethyl (3E,5E)-2-acetylsulfanyl-2-methyl-octa-3,5-dienoate CAS Name: (3E,5E)-2-(acetylthio)-2-methylocta-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5E)-2-acetylsulfanyl-2-methylocta-3,5-dienoate Traditional Name: (3E,5E)-2-(acetylthio)-2-methyl-octa-3,5-dienoic acid ethyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC=CC(C)(C(=O)OCC)SC(=O)C

Isomeric SMILES

CC/C=C/C=C/C(C)(C(=O)OCC)SC(=O)C

InChI

InChI=1S/C13H20O3S/c1-5-7-8-9-10-13(4,17-11(3)14)12(15)16-6-2/h7-10H,5-6H2,1-4H3/b8-7+,10-9+