methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-but-2-ynoate

Systemtic Name: methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-but-2-ynoate Openeye Name: methyl 4-(3,4-dimethoxyphenyl)-4-oxo-but-2-ynoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxo-2-butynoic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethoxyphenyl)-4-oxobut-2-ynoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-but-2-ynoic acid methyl ester Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C#CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C#CC(=O)OC)OC

InChI

InChI=1S/C13H12O5/c1-16-11-6-4-9(8-12(11)17-2)10(14)5-7-13(15)18-3/h4,6,8H,1-3H3