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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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