ethyl 4-(4-oxidanyl-3-oxidanylidene-butyl)benzoate

Systemtic Name: ethyl 4-(4-oxidanyl-3-oxidanylidene-butyl)benzoate Openeye Name: ethyl 4-(4-hydroxy-3-oxo-butyl)benzoate CAS Name: 4-(4-hydroxy-3-oxobutyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-oxobutyl)benzoate Traditional Name: 4-(4-hydroxy-3-keto-butyl)benzoic acid ethyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(=O)CO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(=O)CO

InChI

InChI=1S/C13H16O4/c1-2-17-13(16)11-6-3-10(4-7-11)5-8-12(15)9-14/h3-4,6-7,14H,2,5,8-9H2,1H3