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

Systemtic Name: (4-heptylphenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]-3-fluoranyl-benzoate Openeye Name: (4-heptylphenyl) 4-(2,3-difluoro-4-octoxy-phenyl)-3-fluoro-benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)-3-fluorobenzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-(2,3-difluoro-4-octoxyphenyl)-3-fluorobenzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)-3-fluoro-benzoic acid (4-heptylphenyl) ester Formula: C34H41F3O3 MolecularWeight: 554.68275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)F)F)F

InChI

InChI=1S/C34H41F3O3/c1-3-5-7-9-11-13-23-39-31-22-21-29(32(36)33(31)37)28-20-17-26(24-30(28)35)34(38)40-27-18-15-25(16-19-27)14-12-10-8-6-4-2/h15-22,24H,3-14,23H2,1-2H3