2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-(4-heptoxyphenyl)benzoate

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]-4-(4-heptoxyphenyl)benzoate Openeye Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-heptoxyphenyl)benzoate CAS Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-heptoxyphenyl)benzoate IUPAC Name: 2-(2,3-difluoro-4-heptoxyphenyl)-4-(4-heptoxyphenyl)benzoate Traditional Name: 2-(2,3-difluoro-4-heptoxy-phenyl)-4-(4-heptoxyphenyl)benzoate Formula: C33H39F2O4- MolecularWeight: 537.657166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)[O-])C3=C(C(=C(C=C3)OCCCCCCC)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)[O-])C3=C(C(=C(C=C3)OCCCCCCC)F)F

InChI

InChI=1S/C33H40F2O4/c1-3-5-7-9-11-21-38-26-16-13-24(14-17-26)25-15-18-28(33(36)37)29(23-25)27-19-20-30(32(35)31(27)34)39-22-12-10-8-6-4-2/h13-20,23H,3-12,21-22H2,1-2H3,(H,36,37)/p-1