2-(4-chloranyl-2-methyl-4-oxidanylidene-butanoyl)-5-methyl-benzoic acid

Systemtic Name: 2-(4-chloranyl-2-methyl-4-oxidanylidene-butanoyl)-5-methyl-benzoic acid Openeye Name: 2-(4-chloro-2-methyl-4-oxo-butanoyl)-5-methyl-benzoic acid CAS Name: 2-(4-chloro-2-methyl-1,4-dioxobutyl)-5-methylbenzoic acid IUPAC Name: 2-(4-chloro-2-methyl-4-oxobutanoyl)-5-methylbenzoic acid Traditional Name: 2-(4-chloro-4-keto-2-methyl-butanoyl)-5-methyl-benzoic acid Formula: C13H13ClO4 MolecularWeight: 268.69292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO4/c1-7-3-4-9(10(5-7)13(17)18)12(16)8(2)6-11(14)15/h3-5,8H,6H2,1-2H3,(H,17,18)