8-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]octanoic acid

Systemtic Name: 8-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]octanoic acid Openeye Name: 8-[3-(4-chlorobenzoyl)-2-methyl-phenyl]octanoic acid CAS Name: 8-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]octanoic acid IUPAC Name: 8-[3-(4-chlorobenzoyl)-2-methylphenyl]octanoic acid Traditional Name: 8-[3-(4-chlorobenzoyl)-2-methyl-phenyl]caprylic acid Formula: C22H25ClO3 MolecularWeight: 372.8851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CCCCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC=C1CCCCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClO3/c1-16-17(8-5-3-2-4-6-11-21(24)25)9-7-10-20(16)22(26)18-12-14-19(23)15-13-18/h7,9-10,12-15H,2-6,8,11H2,1H3,(H,24,25)