1,1'-biphenyl; 2-fluoranyl-4-octyl-benzoate

Systemtic Name: 1,1'-biphenyl; 2-fluoranyl-4-octyl-benzoate Openeye Name: biphenyl; 2-fluoro-4-octyl-benzoate CAS Name: 1,1'-biphenyl; 2-fluoro-4-octylbenzoate IUPAC Name: 1,1'-biphenyl; 2-fluoro-4-octylbenzoate Traditional Name: biphenyl; 2-fluoro-4-octyl-benzoate Formula: C27H30FO2- MolecularWeight: 405.524303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)[O-])F.C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)[O-])F.C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H21FO2.C12H10/c1-2-3-4-5-6-7-8-12-9-10-13(15(17)18)14(16)11-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h9-11H,2-8H2,1H3,(H,17,18);1-10H/p-1