methyl 3-oxidanylidene-7-phenylsulfanyl-hept-6-ynoate

Systemtic Name: methyl 3-oxidanylidene-7-phenylsulfanyl-hept-6-ynoate Openeye Name: methyl 3-oxo-7-phenylsulfanyl-hept-6-ynoate CAS Name: 3-oxo-7-(phenylthio)-6-heptynoic acid methyl ester IUPAC Name: methyl 3-oxo-7-phenylsulfanylhept-6-ynoate Traditional Name: 3-keto-7-(phenylthio)hept-6-ynoic acid methyl ester Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CCC#CSC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CCC#CSC1=CC=CC=C1

InChI

InChI=1S/C14H14O3S/c1-17-14(16)11-12(15)7-5-6-10-18-13-8-3-2-4-9-13/h2-4,8-9H,5,7,11H2,1H3