2-hexyl-3-oxidanyl-8-phenylmethoxy-octanoic acid

Systemtic Name: 2-hexyl-3-oxidanyl-8-phenylmethoxy-octanoic acid Openeye Name: 8-benzyloxy-2-hexyl-3-hydroxy-octanoic acid CAS Name: 2-hexyl-3-hydroxy-8-phenylmethoxyoctanoic acid IUPAC Name: 2-hexyl-3-hydroxy-8-phenylmethoxyoctanoic acid Traditional Name: 8-benzoxy-2-hexyl-3-hydroxy-caprylic acid Formula: C21H34O4 MolecularWeight: 350.49226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCCOCC1=CC=CC=C1)O)C(=O)O

Isomeric SMILES

CCCCCCC(C(CCCCCOCC1=CC=CC=C1)O)C(=O)O

InChI

InChI=1S/C21H34O4/c1-2-3-4-9-14-19(21(23)24)20(22)15-10-6-11-16-25-17-18-12-7-5-8-13-18/h5,7-8,12-13,19-20,22H,2-4,6,9-11,14-17H2,1H3,(H,23,24)