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

Systemtic Name: (4-pentylphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-pentoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 2,3-difluoro-4-(3-fluoro-4-pentoxy-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-pentoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2,3-difluoro-4-(3-fluoro-4-pentoxyphenyl)benzoate Traditional Name: 4-(4-amoxy-3-fluoro-phenyl)-2,3-difluoro-benzoic acid (4-amylphenyl) ester Formula: C29H31F3O3 MolecularWeight: 484.54985

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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)OCCCCC)F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C29H31F3O3/c1-3-5-7-9-20-10-13-22(14-11-20)35-29(33)24-16-15-23(27(31)28(24)32)21-12-17-26(25(30)19-21)34-18-8-6-4-2/h10-17,19H,3-9,18H2,1-2H3