methyl 6-oxidanylidene-6-phenyl-hex-2-ynoate

Systemtic Name: methyl 6-oxidanylidene-6-phenyl-hex-2-ynoate Openeye Name: methyl 6-oxo-6-phenyl-hex-2-ynoate CAS Name: 6-oxo-6-phenyl-2-hexynoic acid methyl ester IUPAC Name: methyl 6-oxo-6-phenylhex-2-ynoate Traditional Name: 6-keto-6-phenyl-hex-2-ynoic acid methyl ester Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C#CCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H12O3/c1-16-13(15)10-6-5-9-12(14)11-7-3-2-4-8-11/h2-4,7-8H,5,9H2,1H3