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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-octyl-phenyl]-4-octoxy-benzoate Openeye Name: 2-(2,3-difluoro-4-octyl-phenyl)-4-octoxy-benzoate CAS Name: 2-(2,3-difluoro-4-octylphenyl)-4-octoxybenzoate IUPAC Name: 2-(2,3-difluoro-4-octylphenyl)-4-octoxybenzoate Traditional Name: 2-(2,3-difluoro-4-octyl-phenyl)-4-octoxy-benzoate Formula: C29H39F2O3- MolecularWeight: 473.614966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=C(C=CC(=C2)OCCCCCCCC)C(=O)[O-])F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=C(C=CC(=C2)OCCCCCCCC)C(=O)[O-])F)F

InChI

InChI=1S/C29H40F2O3/c1-3-5-7-9-11-13-15-22-16-18-24(28(31)27(22)30)26-21-23(17-19-25(26)29(32)33)34-20-14-12-10-8-6-4-2/h16-19,21H,3-15,20H2,1-2H3,(H,32,33)/p-1