4-octanoylbenzoic acid

Systemtic Name: 4-octanoylbenzoic acid Openeye Name: 4-octanoylbenzoic acid CAS Name: 4-(1-oxooctyl)benzoic acid IUPAC Name: 4-octanoylbenzoic acid Traditional Name: 4-caprylylbenzoic acid Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O3/c1-2-3-4-5-6-7-14(16)12-8-10-13(11-9-12)15(17)18/h8-11H,2-7H2,1H3,(H,17,18)