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(4-nonoxyphenyl) 4-(3-fluoranyl-4-nonyl-phenyl)benzoate

(4-nonoxyphenyl) 4-(3-fluoranyl-4-nonyl-phenyl)benzoate

Systemtic Name:(4-nonoxyphenyl) 4-(3-fluoranyl-4-nonyl-phenyl)benzoate
Openeye Name:(4-nonoxyphenyl) 4-(3-fluoro-4-nonyl-phenyl)benzoate
CAS Name:4-(3-fluoro-4-nonylphenyl)benzoic acid (4-nonoxyphenyl) ester
IUPAC Name:(4-nonoxyphenyl) 4-(3-fluoro-4-nonylphenyl)benzoate
Traditional Name:4-(3-fluoro-4-nonyl-phenyl)benzoic acid (4-nonoxyphenyl) ester
Formula: C37H49FO3
MolecularWeight: 560.781563
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCC)F


Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCC)F


InChI

InChI=1S/C37H49FO3/c1-3-5-7-9-11-13-15-17-31-20-23-33(29-36(31)38)30-18-21-32(22-19-30)37(39)41-35-26-24-34(25-27-35)40-28-16-14-12-10-8-6-4-2/h18-27,29H,3-17,28H2,1-2H3


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