methyl 4-(5-oxidanyl-4-oxidanylidene-pentyl)benzoate

Systemtic Name: methyl 4-(5-oxidanyl-4-oxidanylidene-pentyl)benzoate Openeye Name: methyl 4-(5-hydroxy-4-oxo-pentyl)benzoate CAS Name: 4-(5-hydroxy-4-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-hydroxy-4-oxopentyl)benzoate Traditional Name: 4-(5-hydroxy-4-keto-pentyl)benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC(=O)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC(=O)CO

InChI

InChI=1S/C13H16O4/c1-17-13(16)11-7-5-10(6-8-11)3-2-4-12(15)9-14/h5-8,14H,2-4,9H2,1H3