methyl 4-oxidanylidene-4-(2,4,5-trimethylphenyl)but-2-ynoate

Systemtic Name: methyl 4-oxidanylidene-4-(2,4,5-trimethylphenyl)but-2-ynoate Openeye Name: methyl 4-oxo-4-(2,4,5-trimethylphenyl)but-2-ynoate CAS Name: 4-oxo-4-(2,4,5-trimethylphenyl)-2-butynoic acid methyl ester IUPAC Name: methyl 4-oxo-4-(2,4,5-trimethylphenyl)but-2-ynoate Traditional Name: 4-keto-4-(2,4,5-trimethylphenyl)but-2-ynoic acid methyl ester Formula: C14H14O3 MolecularWeight: 230.25916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C#CC(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C#CC(=O)OC)C)C

InChI

InChI=1S/C14H14O3/c1-9-7-11(3)12(8-10(9)2)13(15)5-6-14(16)17-4/h7-8H,1-4H3