2-(3-methylbutanoyl)benzoic acid

Systemtic Name: 2-(3-methylbutanoyl)benzoic acid Openeye Name: 2-(3-methylbutanoyl)benzoic acid CAS Name: 2-(3-methyl-1-oxobutyl)benzoic acid IUPAC Name: 2-(3-methylbutanoyl)benzoic acid Traditional Name: 2-isovalerylbenzoic acid Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3/c1-8(2)7-11(13)9-5-3-4-6-10(9)12(14)15/h3-6,8H,7H2,1-2H3,(H,14,15)