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sodium 8-(5,6-diphenylpyridin-2-yl)oxyoctanoate

sodium 8-(5,6-diphenylpyridin-2-yl)oxyoctanoate

Systemtic Name:sodium 8-(5,6-diphenylpyridin-2-yl)oxyoctanoate
Openeye Name:sodium 8-[(5,6-diphenyl-2-pyridyl)oxy]octanoate
CAS Name:sodium 8-[(5,6-diphenyl-2-pyridinyl)oxy]octanoate
IUPAC Name:sodium 8-(5,6-diphenylpyridin-2-yl)oxyoctanoate
Traditional Name:sodium 8-[(5,6-diphenyl-2-pyridyl)oxy]caprylate
Formula: C25H26NNaO3
MolecularWeight: 411.46861
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C=C2)OCCCCCCCC(=O)[O-])C3=CC=CC=C3.[Na+]


Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C=C2)OCCCCCCCC(=O)[O-])C3=CC=CC=C3.[Na+]


InChI

InChI=1S/C25H27NO3.Na/c27-24(28)16-10-2-1-3-11-19-29-23-18-17-22(20-12-6-4-7-13-20)25(26-23)21-14-8-5-9-15-21;/h4-9,12-15,17-18H,1-3,10-11,16,19H2,(H,27,28);/q;+1/p-1


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