hexane; 2-[3-(phenylcarbonyl)phenyl]propanoic acid

Systemtic Name: hexane; 2-[3-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 2-(3-benzoylphenyl)propanoic acid; hexane CAS Name: 2-(3-benzoylphenyl)propanoic acid; hexane IUPAC Name: 2-(3-benzoylphenyl)propanoic acid; hexane Traditional Name: 2-(3-benzoylphenyl)propionic acid; n-hexane Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCC.CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H14O3.C6H14/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;1-3-5-6-4-2/h2-11H,1H3,(H,18,19);3-6H2,1-2H3