2-[(4-chlorophenyl)methyl]octanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]octanoic acid Openeye Name: 2-[(4-chlorophenyl)methyl]octanoic acid CAS Name: 2-[(4-chlorophenyl)methyl]octanoic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]octanoic acid Traditional Name: 2-(4-chlorobenzyl)caprylic acid Formula: C15H21ClO2 MolecularWeight: 268.77904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCCCCC(CC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C15H21ClO2/c1-2-3-4-5-6-13(15(17)18)11-12-7-9-14(16)10-8-12/h7-10,13H,2-6,11H2,1H3,(H,17,18)