methyl 2-ethanoyl-7-phenyl-hept-6-ynoate

Systemtic Name: methyl 2-ethanoyl-7-phenyl-hept-6-ynoate Openeye Name: methyl 2-acetyl-7-phenyl-hept-6-ynoate CAS Name: 2-acetyl-7-phenyl-6-heptynoic acid methyl ester IUPAC Name: methyl 2-acetyl-7-phenylhept-6-ynoate Traditional Name: 2-acetyl-7-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(CCCC#CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)C(CCCC#CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H18O3/c1-13(17)15(16(18)19-2)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,8,12H2,1-2H3