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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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