(4-pentylphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: (4-pentylphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: (4-pentylphenyl) 2,3-difluoro-4-(3-fluoro-4-pentyl-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-pentylphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2,3-difluoro-4-(3-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-3-fluoro-phenyl)-2,3-difluoro-benzoic acid (4-amylphenyl) ester Formula: C29H31F3O2 MolecularWeight: 468.55045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)CCCCC)F)F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)CCCCC)F)F)F

InChI

InChI=1S/C29H31F3O2/c1-3-5-7-9-20-11-15-23(16-12-20)34-29(33)25-18-17-24(27(31)28(25)32)22-14-13-21(26(30)19-22)10-8-6-4-2/h11-19H,3-10H2,1-2H3