methyl 7-oxidanylidene-7-(2-phenoxyphenyl)hept-5-ynoate

Systemtic Name: methyl 7-oxidanylidene-7-(2-phenoxyphenyl)hept-5-ynoate Openeye Name: methyl 7-oxo-7-(2-phenoxyphenyl)hept-5-ynoate CAS Name: 7-oxo-7-(2-phenoxyphenyl)-5-heptynoic acid methyl ester IUPAC Name: methyl 7-oxo-7-(2-phenoxyphenyl)hept-5-ynoate Traditional Name: 7-keto-7-(2-phenoxyphenyl)hept-5-ynoic acid methyl ester Formula: C20H18O4 MolecularWeight: 322.35452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC(=O)C1=CC=CC=C1OC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCC#CC(=O)C1=CC=CC=C1OC2=CC=CC=C2

InChI

InChI=1S/C20H18O4/c1-23-20(22)15-7-3-6-13-18(21)17-12-8-9-14-19(17)24-16-10-4-2-5-11-16/h2,4-5,8-12,14H,3,7,15H2,1H3