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

Systemtic Name: 5-(4-chloranyl-2-methyl-butanoyl)-2-methyl-benzoic acid Openeye Name: 5-(4-chloro-2-methyl-butanoyl)-2-methyl-benzoic acid CAS Name: 5-(4-chloro-2-methyl-1-oxobutyl)-2-methylbenzoic acid IUPAC Name: 5-(4-chloro-2-methylbutanoyl)-2-methylbenzoic acid Traditional Name: 5-(4-chloro-2-methyl-butanoyl)-2-methyl-benzoic acid Formula: C13H15ClO3 MolecularWeight: 254.7094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)CCCl)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)CCCl)C(=O)O

InChI

InChI=1S/C13H15ClO3/c1-8-3-4-10(7-11(8)13(16)17)12(15)9(2)5-6-14/h3-4,7,9H,5-6H2,1-2H3,(H,16,17)