(4-octoxyphenyl) 4-(4-decoxy-3-fluoranyl-phenyl)-2,3-bis(fluoranyl)benzoate

Systemtic Name: (4-octoxyphenyl) 4-(4-decoxy-3-fluoranyl-phenyl)-2,3-bis(fluoranyl)benzoate Openeye Name: (4-octoxyphenyl) 4-(4-decoxy-3-fluoro-phenyl)-2,3-difluoro-benzoate CAS Name: 4-(4-decoxy-3-fluorophenyl)-2,3-difluorobenzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 4-(4-decoxy-3-fluorophenyl)-2,3-difluorobenzoate Traditional Name: 4-(4-decoxy-3-fluoro-phenyl)-2,3-difluoro-benzoic acid (4-octoxyphenyl) ester Formula: C37H47F3O4 MolecularWeight: 612.76189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC)F)F)F

InChI

InChI=1S/C37H47F3O4/c1-3-5-7-9-11-12-14-16-26-43-34-24-17-28(27-33(34)38)31-22-23-32(36(40)35(31)39)37(41)44-30-20-18-29(19-21-30)42-25-15-13-10-8-6-4-2/h17-24,27H,3-16,25-26H2,1-2H3