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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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