2-methyl-5-oxidanylidene-5-phenylmethoxy-pentanoic acid

Systemtic Name: 2-methyl-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: 5-benzyloxy-2-methyl-5-oxo-pentanoic acid CAS Name: 2-methyl-5-oxo-5-phenylmethoxypentanoic acid IUPAC Name: 2-methyl-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: 5-benzoxy-5-keto-2-methyl-valeric acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CCC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O4/c1-10(13(15)16)7-8-12(14)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,16)