ethyl 4-[(4-ethanoylphenyl)methyl]-5,5-dimethyl-2-oxidanylidene-furan-3-carboxylate

Systemtic Name: ethyl 4-[(4-ethanoylphenyl)methyl]-5,5-dimethyl-2-oxidanylidene-furan-3-carboxylate Openeye Name: ethyl 4-[(4-acetylphenyl)methyl]-5,5-dimethyl-2-oxo-furan-3-carboxylate CAS Name: 4-[(4-acetylphenyl)methyl]-5,5-dimethyl-2-oxo-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylphenyl)methyl]-5,5-dimethyl-2-oxofuran-3-carboxylate Traditional Name: 4-(4-acetylbenzyl)-2-keto-5,5-dimethyl-furan-3-carboxylic acid ethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(OC1=O)(C)C)CC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(OC1=O)(C)C)CC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C18H20O5/c1-5-22-16(20)15-14(18(3,4)23-17(15)21)10-12-6-8-13(9-7-12)11(2)19/h6-9H,5,10H2,1-4H3