4-(2-ethyl-3-oxidanylidene-butyl)benzoic acid

Systemtic Name: 4-(2-ethyl-3-oxidanylidene-butyl)benzoic acid Openeye Name: 4-(2-ethyl-3-oxo-butyl)benzoic acid CAS Name: 4-(2-ethyl-3-oxobutyl)benzoic acid IUPAC Name: 4-(2-ethyl-3-oxobutyl)benzoic acid Traditional Name: 4-(2-ethyl-3-keto-butyl)benzoic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-3-11(9(2)14)8-10-4-6-12(7-5-10)13(15)16/h4-7,11H,3,8H2,1-2H3,(H,15,16)