2-[4-oxidanylidene-4-[2-oxidanyl-3-(phenylcarbonyl)phenoxy]butyl]octanoic acid

Systemtic Name: 2-[4-oxidanylidene-4-[2-oxidanyl-3-(phenylcarbonyl)phenoxy]butyl]octanoic acid Openeye Name: 2-[4-(3-benzoyl-2-hydroxy-phenoxy)-4-oxo-butyl]octanoic acid CAS Name: 2-[4-(3-benzoyl-2-hydroxyphenoxy)-4-oxobutyl]octanoic acid IUPAC Name: 2-[4-(3-benzoyl-2-hydroxyphenoxy)-4-oxobutyl]octanoic acid Traditional Name: 2-[4-(3-benzoyl-2-hydroxy-phenoxy)-4-keto-butyl]caprylic acid Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC(=O)OC1=CC=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC(CCCC(=O)OC1=CC=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H30O6/c1-2-3-4-6-13-19(25(29)30)14-9-17-22(26)31-21-16-10-15-20(24(21)28)23(27)18-11-7-5-8-12-18/h5,7-8,10-12,15-16,19,28H,2-4,6,9,13-14,17H2,1H3,(H,29,30)