3-oxidanyl-8-phenylmethoxy-2-(phenylmethyl)octanoic acid

Systemtic Name: 3-oxidanyl-8-phenylmethoxy-2-(phenylmethyl)octanoic acid Openeye Name: 2-benzyl-8-benzyloxy-3-hydroxy-octanoic acid CAS Name: 3-hydroxy-8-phenylmethoxy-2-(phenylmethyl)octanoic acid IUPAC Name: 2-benzyl-3-hydroxy-8-phenylmethoxyoctanoic acid Traditional Name: 8-benzoxy-2-benzyl-3-hydroxy-caprylic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CCCCCOCC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CCCCCOCC2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C22H28O4/c23-21(20(22(24)25)16-18-10-4-1-5-11-18)14-8-3-9-15-26-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21,23H,3,8-9,14-17H2,(H,24,25)