propan-2-yl 5-oxidanyl-3-oxidanylidene-7-phenyl-hept-6-ynoate

Systemtic Name: propan-2-yl 5-oxidanyl-3-oxidanylidene-7-phenyl-hept-6-ynoate Openeye Name: isopropyl 5-hydroxy-3-oxo-7-phenyl-hept-6-ynoate CAS Name: 5-hydroxy-3-oxo-7-phenyl-6-heptynoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-hydroxy-3-oxo-7-phenylhept-6-ynoate Traditional Name: 5-hydroxy-3-keto-7-phenyl-hept-6-ynoic acid isopropyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4/c1-12(2)20-16(19)11-15(18)10-14(17)9-8-13-6-4-3-5-7-13/h3-7,12,14,17H,10-11H2,1-2H3