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sodium 8-(4-phenylquinazolin-2-yl)sulfanyloctanoate

sodium 8-(4-phenylquinazolin-2-yl)sulfanyloctanoate

Systemtic Name:sodium 8-(4-phenylquinazolin-2-yl)sulfanyloctanoate
Openeye Name:sodium 8-(4-phenylquinazolin-2-yl)sulfanyloctanoate
CAS Name:sodium 8-[(4-phenyl-2-quinazolinyl)thio]octanoate
IUPAC Name:sodium 8-(4-phenylquinazolin-2-yl)sulfanyloctanoate
Traditional Name:sodium 8-[(4-phenylquinazolin-2-yl)thio]caprylate
Formula: C22H23N2NaO2S
MolecularWeight: 402.48499
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCCCCCCCC(=O)[O-].[Na+]


Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCCCCCCCC(=O)[O-].[Na+]


InChI

InChI=1S/C22H24N2O2S.Na/c25-20(26)15-7-2-1-3-10-16-27-22-23-19-14-9-8-13-18(19)21(24-22)17-11-5-4-6-12-17;/h4-6,8-9,11-14H,1-3,7,10,15-16H2,(H,25,26);/q;+1/p-1


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