3-oxidanylidene-8-phenylmethoxy-octanoic acid

Systemtic Name: 3-oxidanylidene-8-phenylmethoxy-octanoic acid Openeye Name: 8-benzyloxy-3-oxo-octanoic acid CAS Name: 3-oxo-8-phenylmethoxyoctanoic acid IUPAC Name: 3-oxo-8-phenylmethoxyoctanoic acid Traditional Name: 8-benzoxy-3-keto-caprylic acid Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCC(=O)CC(=O)O

InChI

InChI=1S/C15H20O4/c16-14(11-15(17)18)9-5-2-6-10-19-12-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)