[2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-(3-fluoranyl-4-methyl-phenyl)benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-octoxy-phenyl] 4-(3-fluoranyl-4-methyl-phenyl)benzoate Openeye Name: (2,3-difluoro-4-octoxy-phenyl) 4-(3-fluoro-4-methyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-methylphenyl)benzoic acid (2,3-difluoro-4-octoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-octoxyphenyl) 4-(3-fluoro-4-methylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-methyl-phenyl)benzoic acid (2,3-difluoro-4-octoxy-phenyl) ester Formula: C28H29F3O3 MolecularWeight: 470.52327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)C)F)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)C)F)F)F

InChI

InChI=1S/C28H29F3O3/c1-3-4-5-6-7-8-17-33-24-15-16-25(27(31)26(24)30)34-28(32)21-13-11-20(12-14-21)22-10-9-19(2)23(29)18-22/h9-16,18H,3-8,17H2,1-2H3