ethyl 2-methyl-2-oxidanyl-3-oxidanylidene-5-phenyl-pent-4-ynoate

Systemtic Name: ethyl 2-methyl-2-oxidanyl-3-oxidanylidene-5-phenyl-pent-4-ynoate Openeye Name: ethyl 2-hydroxy-2-methyl-3-oxo-5-phenyl-pent-4-ynoate CAS Name: 2-hydroxy-2-methyl-3-oxo-5-phenyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-methyl-3-oxo-5-phenylpent-4-ynoate Traditional Name: 2-hydroxy-3-keto-2-methyl-5-phenyl-pent-4-ynoic acid ethyl ester Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4/c1-3-18-13(16)14(2,17)12(15)10-9-11-7-5-4-6-8-11/h4-8,17H,3H2,1-2H3