2-[(4-octanoylphenyl)methyl]benzoic acid

Systemtic Name: 2-[(4-octanoylphenyl)methyl]benzoic acid Openeye Name: 2-[(4-octanoylphenyl)methyl]benzoic acid CAS Name: 2-[[4-(1-oxooctyl)phenyl]methyl]benzoic acid IUPAC Name: 2-[(4-octanoylphenyl)methyl]benzoic acid Traditional Name: 2-(4-caprylylbenzyl)benzoic acid Formula: C22H26O3 MolecularWeight: 338.44004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H26O3/c1-2-3-4-5-6-11-21(23)18-14-12-17(13-15-18)16-19-9-7-8-10-20(19)22(24)25/h7-10,12-15H,2-6,11,16H2,1H3,(H,24,25)