2-[2-(5-chloranyl-2-oxidanyl-phenyl)carbonylphenyl]-7-methyl-octanoic acid

Systemtic Name: 2-[2-(5-chloranyl-2-oxidanyl-phenyl)carbonylphenyl]-7-methyl-octanoic acid Openeye Name: 2-[2-(5-chloro-2-hydroxy-benzoyl)phenyl]-7-methyl-octanoic acid CAS Name: 2-[2-[(5-chloro-2-hydroxyphenyl)-oxomethyl]phenyl]-7-methyloctanoic acid IUPAC Name: 2-[2-(5-chloro-2-hydroxybenzoyl)phenyl]-7-methyloctanoic acid Traditional Name: 2-[2-(5-chloro-2-hydroxy-benzoyl)phenyl]-7-methyl-caprylic acid Formula: C22H25ClO4 MolecularWeight: 388.8845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(C1=CC=CC=C1C(=O)C2=C(C=CC(=C2)Cl)O)C(=O)O

Isomeric SMILES

CC(C)CCCCC(C1=CC=CC=C1C(=O)C2=C(C=CC(=C2)Cl)O)C(=O)O

InChI

InChI=1S/C22H25ClO4/c1-14(2)7-3-4-10-18(22(26)27)16-8-5-6-9-17(16)21(25)19-13-15(23)11-12-20(19)24/h5-6,8-9,11-14,18,24H,3-4,7,10H2,1-2H3,(H,26,27)