methyl 7-(4-ethanoylphenyl)-3-oxidanylidene-hept-6-ynoate

Systemtic Name: methyl 7-(4-ethanoylphenyl)-3-oxidanylidene-hept-6-ynoate Openeye Name: methyl 7-(4-acetylphenyl)-3-oxo-hept-6-ynoate CAS Name: 7-(4-acetylphenyl)-3-oxo-6-heptynoic acid methyl ester IUPAC Name: methyl 7-(4-acetylphenyl)-3-oxohept-6-ynoate Traditional Name: 7-(4-acetylphenyl)-3-keto-hept-6-ynoic acid methyl ester Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4/c1-12(17)14-9-7-13(8-10-14)5-3-4-6-15(18)11-16(19)20-2/h7-10H,4,6,11H2,1-2H3