4-(4-oxidanylidenepentan-2-yl)benzoic acid

Systemtic Name: 4-(4-oxidanylidenepentan-2-yl)benzoic acid Openeye Name: 4-(1-methyl-3-oxo-butyl)benzoic acid CAS Name: 4-(4-oxopentan-2-yl)benzoic acid IUPAC Name: 4-(4-oxopentan-2-yl)benzoic acid Traditional Name: 4-(3-keto-1-methyl-butyl)benzoic acid Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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