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

Systemtic Name: (4-hexoxyphenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate Openeye Name: (4-hexoxyphenyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (4-hexoxyphenyl) ester Formula: C33H40F2O4 MolecularWeight: 538.665106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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