6-methoxy-6-oxidanylidene-3-phenyl-hexanoic acid

Systemtic Name: 6-methoxy-6-oxidanylidene-3-phenyl-hexanoic acid Openeye Name: 6-methoxy-6-oxo-3-phenyl-hexanoic acid CAS Name: 6-methoxy-6-oxo-3-phenylhexanoic acid IUPAC Name: 6-methoxy-6-oxo-3-phenylhexanoic acid Traditional Name: 6-keto-6-methoxy-3-phenyl-hexanoic acid Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CC(=O)O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC(CC(=O)O)C1=CC=CC=C1

InChI

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