(4-nonoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: (4-nonoxyphenyl) 2,3-bis(fluoranyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (4-nonoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 2,3-difluoro-4-(3-fluoro-4-octoxyphenyl)benzoic acid (4-nonoxyphenyl) ester IUPAC Name: (4-nonoxyphenyl) 2,3-difluoro-4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 2,3-difluoro-4-(3-fluoro-4-octoxy-phenyl)benzoic acid (4-nonoxyphenyl) ester Formula: C36H45F3O4 MolecularWeight: 598.73531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)OCCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=CC(=C(C=C3)OCCCCCCCC)F)F)F

InChI

InChI=1S/C36H45F3O4/c1-3-5-7-9-11-13-14-24-41-28-17-19-29(20-18-28)43-36(40)31-22-21-30(34(38)35(31)39)27-16-23-33(32(37)26-27)42-25-15-12-10-8-6-4-2/h16-23,26H,3-15,24-25H2,1-2H3