6-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]hexanoic acid

Systemtic Name: 6-[3-(4-chlorophenyl)carbonyl-2-methyl-phenyl]hexanoic acid Openeye Name: 6-[3-(4-chlorobenzoyl)-2-methyl-phenyl]hexanoic acid CAS Name: 6-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenyl]hexanoic acid IUPAC Name: 6-[3-(4-chlorobenzoyl)-2-methylphenyl]hexanoic acid Traditional Name: 6-[3-(4-chlorobenzoyl)-2-methyl-phenyl]hexanoic acid Formula: C20H21ClO3 MolecularWeight: 344.83194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=CC=C1CCCCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClO3/c1-14-15(6-3-2-4-9-19(22)23)7-5-8-18(14)20(24)16-10-12-17(21)13-11-16/h5,7-8,10-13H,2-4,6,9H2,1H3,(H,22,23)