3-ethyl-2-(phenylcarbonyl)octanoic acid

Systemtic Name: 3-ethyl-2-(phenylcarbonyl)octanoic acid Openeye Name: 2-benzoyl-3-ethyl-octanoic acid CAS Name: 2-benzoyl-3-ethyloctanoic acid IUPAC Name: 2-benzoyl-3-ethyloctanoic acid Traditional Name: 2-benzoyl-3-ethyl-caprylic acid Formula: C17H24O3 MolecularWeight: 276.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3/c1-3-5-7-10-13(4-2)15(17(19)20)16(18)14-11-8-6-9-12-14/h6,8-9,11-13,15H,3-5,7,10H2,1-2H3,(H,19,20)