2-hexanoylbenzoic acid

Systemtic Name: 2-hexanoylbenzoic acid Openeye Name: 2-hexanoylbenzoic acid CAS Name: 2-(1-oxohexyl)benzoic acid IUPAC Name: 2-hexanoylbenzoic acid Traditional Name: 2-caproylbenzoic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H16O3/c1-2-3-4-9-12(14)10-7-5-6-8-11(10)13(15)16/h5-8H,2-4,9H2,1H3,(H,15,16)