methyl 2-ethanoyl-3-phenyl-hept-6-ynoate

Systemtic Name: methyl 2-ethanoyl-3-phenyl-hept-6-ynoate Openeye Name: methyl 2-acetyl-3-phenyl-hept-6-ynoate CAS Name: 2-acetyl-3-phenyl-6-heptynoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-phenylhept-6-ynoate Traditional Name: 2-acetyl-3-phenyl-hept-6-ynoic acid methyl ester Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O3/c1-4-5-11-14(13-9-7-6-8-10-13)15(12(2)17)16(18)19-3/h1,6-10,14-15H,5,11H2,2-3H3