methyl 4-(6-methylhept-5-en-1-ynylsulfanyl)benzoate

Systemtic Name: methyl 4-(6-methylhept-5-en-1-ynylsulfanyl)benzoate Openeye Name: methyl 4-(6-methylhept-5-en-1-ynylsulfanyl)benzoate CAS Name: 4-(6-methylhept-5-en-1-ynylthio)benzoic acid methyl ester IUPAC Name: methyl 4-(6-methylhept-5-en-1-ynylsulfanyl)benzoate Traditional Name: 4-(6-methylhept-5-en-1-ynylthio)benzoic acid methyl ester Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC#CSC1=CC=C(C=C1)C(=O)OC)C

Isomeric SMILES

CC(=CCCC#CSC1=CC=C(C=C1)C(=O)OC)C

InChI

InChI=1S/C16H18O2S/c1-13(2)7-5-4-6-12-19-15-10-8-14(9-11-15)16(17)18-3/h7-11H,4-5H2,1-3H3