[2,3-bis(fluoranyl)-4-octyl-phenyl] 4-butoxy-2-fluoranyl-benzoate

Systemtic Name: [2,3-bis(fluoranyl)-4-octyl-phenyl] 4-butoxy-2-fluoranyl-benzoate Openeye Name: (2,3-difluoro-4-octyl-phenyl) 4-butoxy-2-fluoro-benzoate CAS Name: 4-butoxy-2-fluorobenzoic acid (2,3-difluoro-4-octylphenyl) ester IUPAC Name: (2,3-difluoro-4-octylphenyl) 4-butoxy-2-fluorobenzoate Traditional Name: 4-butoxy-2-fluoro-benzoic acid (2,3-difluoro-4-octyl-phenyl) ester Formula: C25H31F3O3 MolecularWeight: 436.50705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)OCCCC)F)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)OC(=O)C2=C(C=C(C=C2)OCCCC)F)F)F

InChI

InChI=1S/C25H31F3O3/c1-3-5-7-8-9-10-11-18-12-15-22(24(28)23(18)27)31-25(29)20-14-13-19(17-21(20)26)30-16-6-4-2/h12-15,17H,3-11,16H2,1-2H3