4-[2-(2-chlorophenyl)carbonyl-5-methyl-phenoxy]butanoic acid

Systemtic Name: 4-[2-(2-chlorophenyl)carbonyl-5-methyl-phenoxy]butanoic acid Openeye Name: 4-[2-(2-chlorobenzoyl)-5-methyl-phenoxy]butanoic acid CAS Name: 4-[2-[(2-chlorophenyl)-oxomethyl]-5-methylphenoxy]butanoic acid IUPAC Name: 4-[2-(2-chlorobenzoyl)-5-methylphenoxy]butanoic acid Traditional Name: 4-[2-(2-chlorobenzoyl)-5-methyl-phenoxy]butyric acid Formula: C18H17ClO4 MolecularWeight: 332.77818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2Cl)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2Cl)OCCCC(=O)O

InChI

InChI=1S/C18H17ClO4/c1-12-8-9-14(16(11-12)23-10-4-7-17(20)21)18(22)13-5-2-3-6-15(13)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21)