methyl 4-[(1E,3Z)-octa-1,3-dien-6-ynyl]sulfanylbutanoate

Systemtic Name: methyl 4-[(1E,3Z)-octa-1,3-dien-6-ynyl]sulfanylbutanoate Openeye Name: methyl 4-[(1E,3Z)-octa-1,3-dien-6-ynyl]sulfanylbutanoate CAS Name: 4-[[(1E,3Z)-octa-1,3-dien-6-ynyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(1E,3Z)-octa-1,3-dien-6-ynyl]sulfanylbutanoate Traditional Name: 4-[[(1E,3Z)-octa-1,3-dien-6-ynyl]thio]butyric acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC=CC=CSCCCC(=O)OC

Isomeric SMILES

CC#CC/C=C\C=C\SCCCC(=O)OC

InChI

InChI=1S/C13H18O2S/c1-3-4-5-6-7-8-11-16-12-9-10-13(14)15-2/h6-8,11H,5,9-10,12H2,1-2H3/b7-6-,11-8+