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

Systemtic Name: [2,3-bis(fluoranyl)-4-octyl-phenyl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: (2,3-difluoro-4-octyl-phenyl) 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid (2,3-difluoro-4-octylphenyl) ester IUPAC Name: (2,3-difluoro-4-octylphenyl) 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid (2,3-difluoro-4-octyl-phenyl) ester Formula: C29H39F3O3 MolecularWeight: 492.61337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)OCCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)OCCCCCCCC)F)F)F

InChI

InChI=1S/C29H39F3O3/c1-3-5-7-9-11-13-15-22-16-19-26(28(32)27(22)31)35-29(33)24-18-17-23(21-25(24)30)34-20-14-12-10-8-6-4-2/h16-19,21H,3-15,20H2,1-2H3