(3,3-dimethyl-2-oxidanylidene-butyl) 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H20O5 MolecularWeight: 328.3591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C19H20O5/c1-12(20)13-5-7-14(8-6-13)15-9-10-16(24-15)18(22)23-11-17(21)19(2,3)4/h5-10H,11H2,1-4H3