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(4-pentylphenyl) 2,3-bis(fluoranyl)-4-(4-nonoxyphenyl)benzoate

(4-pentylphenyl) 2,3-bis(fluoranyl)-4-(4-nonoxyphenyl)benzoate

Systemtic Name:(4-pentylphenyl) 2,3-bis(fluoranyl)-4-(4-nonoxyphenyl)benzoate
Openeye Name:(4-pentylphenyl) 2,3-difluoro-4-(4-nonoxyphenyl)benzoate
CAS Name:2,3-difluoro-4-(4-nonoxyphenyl)benzoic acid (4-pentylphenyl) ester
IUPAC Name:(4-pentylphenyl) 2,3-difluoro-4-(4-nonoxyphenyl)benzoate
Traditional Name:2,3-difluoro-4-(4-nonoxyphenyl)benzoic acid (4-amylphenyl) ester
Formula: C33H40F2O3
MolecularWeight: 522.665706
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C33H40F2O3/c1-3-5-7-8-9-10-12-24-37-27-20-16-26(17-21-27)29-22-23-30(32(35)31(29)34)33(36)38-28-18-14-25(15-19-28)13-11-6-4-2/h14-23H,3-13,24H2,1-2H3


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