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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCC)F)F)F

Isomeric SMILES

CCCCCCCCCOC1=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/C36H45F3O4/c1-3-5-7-9-11-13-15-25-42-33-23-16-27(26-32(33)37)30-21-22-31(35(39)34(30)38)36(40)43-29-19-17-28(18-20-29)41-24-14-12-10-8-6-4-2/h16-23,26H,3-15,24-25H2,1-2H3