2-(4-chloranyl-2-methyl-butanoyl)benzoic acid

Systemtic Name: 2-(4-chloranyl-2-methyl-butanoyl)benzoic acid Openeye Name: 2-(4-chloro-2-methyl-butanoyl)benzoic acid CAS Name: 2-(4-chloro-2-methyl-1-oxobutyl)benzoic acid IUPAC Name: 2-(4-chloro-2-methylbutanoyl)benzoic acid Traditional Name: 2-(4-chloro-2-methyl-butanoyl)benzoic acid Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCl)C(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(CCCl)C(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H13ClO3/c1-8(6-7-13)11(14)9-4-2-3-5-10(9)12(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)