methyl 4-oxidanylidene-7-phenylsulfanyl-oct-5-ynoate

Systemtic Name: methyl 4-oxidanylidene-7-phenylsulfanyl-oct-5-ynoate Openeye Name: methyl 4-oxo-7-phenylsulfanyl-oct-5-ynoate CAS Name: 4-oxo-7-(phenylthio)-5-octynoic acid methyl ester IUPAC Name: methyl 4-oxo-7-phenylsulfanyloct-5-ynoate Traditional Name: 4-keto-7-(phenylthio)oct-5-ynoic acid methyl ester Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(=O)CCC(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

CC(C#CC(=O)CCC(=O)OC)SC1=CC=CC=C1

InChI

InChI=1S/C15H16O3S/c1-12(19-14-6-4-3-5-7-14)8-9-13(16)10-11-15(17)18-2/h3-7,12H,10-11H2,1-2H3