methyl 2-(5-prop-2-enylsulfanylpent-1-ynyl)benzoate

Systemtic Name: methyl 2-(5-prop-2-enylsulfanylpent-1-ynyl)benzoate Openeye Name: methyl 2-(5-allylsulfanylpent-1-ynyl)benzoate CAS Name: 2-[5-(prop-2-enylthio)pent-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-(5-prop-2-enylsulfanylpent-1-ynyl)benzoate Traditional Name: 2-[5-(allylthio)pent-1-ynyl]benzoic acid methyl ester Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CCCCSCC=C

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CCCCSCC=C

InChI

InChI=1S/C16H18O2S/c1-3-12-19-13-8-4-5-9-14-10-6-7-11-15(14)16(17)18-2/h3,6-7,10-11H,1,4,8,12-13H2,2H3