methyl 3-[(2E,4E)-6-methylhepta-2,4-dienyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2E,4E)-6-methylhepta-2,4-dienyl]sulfanylpropanoate Openeye Name: methyl 3-[(2E,4E)-6-methylhepta-2,4-dienyl]sulfanylpropanoate CAS Name: 3-[[(2E,4E)-6-methylhepta-2,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2E,4E)-6-methylhepta-2,4-dienyl]sulfanylpropanoate Traditional Name: 3-[[(2E,4E)-6-methylhepta-2,4-dienyl]thio]propionic acid methyl ester Formula: C12H20O2S MolecularWeight: 228.351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC=CCSCCC(=O)OC

Isomeric SMILES

CC(C)/C=C/C=C/CSCCC(=O)OC

InChI

InChI=1S/C12H20O2S/c1-11(2)7-5-4-6-9-15-10-8-12(13)14-3/h4-7,11H,8-10H2,1-3H3/b6-4+,7-5+