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sodium 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoate

sodium 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoate

Systemtic Name:sodium 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoate
Openeye Name:sodium 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoate
CAS Name:sodium 8-[(4,5-diphenyl-2-pyrimidinyl)thio]octanoate
IUPAC Name:sodium 8-(4,5-diphenylpyrimidin-2-yl)sulfanyloctanoate
Traditional Name:sodium 8-[(4,5-diphenylpyrimidin-2-yl)thio]caprylate
Formula: C24H25N2NaO2S
MolecularWeight: 428.52227
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCCCCCC(=O)[O-].[Na+]


Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCCCCCC(=O)[O-].[Na+]


InChI

InChI=1S/C24H26N2O2S.Na/c27-22(28)16-10-2-1-3-11-17-29-24-25-18-21(19-12-6-4-7-13-19)23(26-24)20-14-8-5-9-15-20;/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,27,28);/q;+1/p-1


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