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4-[4-(2-fluoranylhexadecoxy)phenyl]benzoate

4-[4-(2-fluoranylhexadecoxy)phenyl]benzoate

Systemtic Name:4-[4-(2-fluoranylhexadecoxy)phenyl]benzoate
Openeye Name:4-[4-(2-fluorohexadecoxy)phenyl]benzoate
CAS Name:4-[4-(2-fluorohexadecoxy)phenyl]benzoate
IUPAC Name:4-[4-(2-fluorohexadecoxy)phenyl]benzoate
Traditional Name:4-[4-(2-fluorohexadecoxy)phenyl]benzoate
Formula: C29H40FO3-
MolecularWeight: 455.624503
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])F


Isomeric SMILES

CCCCCCCCCCCCCCC(COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])F


InChI

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


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