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

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

Systemtic Name:(4-octylphenyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate
Openeye Name:(4-octylphenyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate
CAS Name:4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (4-octylphenyl) ester
IUPAC Name:(4-octylphenyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate
Traditional Name:4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (4-octylphenyl) ester
Formula: C35H44F2O3
MolecularWeight: 550.718866
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F


InChI

InChI=1S/C35H44F2O3/c1-3-5-7-9-11-13-15-27-16-22-30(23-17-27)40-35(38)29-20-18-28(19-21-29)31-24-25-32(34(37)33(31)36)39-26-14-12-10-8-6-4-2/h16-25H,3-15,26H2,1-2H3


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