methyl 6-phenylsulfanylhept-6-enoate

Systemtic Name: methyl 6-phenylsulfanylhept-6-enoate Openeye Name: methyl 6-phenylsulfanylhept-6-enoate CAS Name: 6-(phenylthio)-6-heptenoic acid methyl ester IUPAC Name: methyl 6-phenylsulfanylhept-6-enoate Traditional Name: 6-(phenylthio)hept-6-enoic acid methyl ester Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=C)SC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCC(=C)SC1=CC=CC=C1

InChI

InChI=1S/C14H18O2S/c1-12(8-6-7-11-14(15)16-2)17-13-9-4-3-5-10-13/h3-5,9-10H,1,6-8,11H2,2H3