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(2-fluoranyl-4-pentyl-phenyl) 4-(4-heptylphenyl)benzoate

(2-fluoranyl-4-pentyl-phenyl) 4-(4-heptylphenyl)benzoate

Systemtic Name:(2-fluoranyl-4-pentyl-phenyl) 4-(4-heptylphenyl)benzoate
Openeye Name:(2-fluoro-4-pentyl-phenyl) 4-(4-heptylphenyl)benzoate
CAS Name:4-(4-heptylphenyl)benzoic acid (2-fluoro-4-pentylphenyl) ester
IUPAC Name:(2-fluoro-4-pentylphenyl) 4-(4-heptylphenyl)benzoate
Traditional Name:4-(4-heptylphenyl)benzoic acid (4-amyl-2-fluoro-phenyl) ester
Formula: C31H37FO2
MolecularWeight: 460.622683
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F


Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCC)F


InChI

InChI=1S/C31H37FO2/c1-3-5-7-8-10-11-24-13-16-26(17-14-24)27-18-20-28(21-19-27)31(33)34-30-22-15-25(23-29(30)32)12-9-6-4-2/h13-23H,3-12H2,1-2H3


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