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4-(2-fluoranyloctoxy)-2-(4-octylphenyl)benzoate

4-(2-fluoranyloctoxy)-2-(4-octylphenyl)benzoate

Systemtic Name:4-(2-fluoranyloctoxy)-2-(4-octylphenyl)benzoate
Openeye Name:4-(2-fluorooctoxy)-2-(4-octylphenyl)benzoate
CAS Name:4-(2-fluorooctoxy)-2-(4-octylphenyl)benzoate
IUPAC Name:4-(2-fluorooctoxy)-2-(4-octylphenyl)benzoate
Traditional Name:4-(2-fluorooctoxy)-2-(4-octylphenyl)benzoate
Formula: C29H40FO3-
MolecularWeight: 455.624503
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)OCC(CCCCCC)F)C(=O)[O-]


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)OCC(CCCCCC)F)C(=O)[O-]


InChI

InChI=1S/C29H41FO3/c1-3-5-7-9-10-11-13-23-15-17-24(18-16-23)28-21-26(19-20-27(28)29(31)32)33-22-25(30)14-12-8-6-4-2/h15-21,25H,3-14,22H2,1-2H3,(H,31,32)/p-1


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