4-(5-ethyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(5-ethyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(5-ethyl-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoate IUPAC Name: 4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-ethyl-2-methoxy-phenyl)-4-keto-butyrate Formula: C13H15O4- MolecularWeight: 235.2558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)OC)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H16O4/c1-3-9-4-6-12(17-2)10(8-9)11(14)5-7-13(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,15,16)/p-1