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2-(5,7-dinitroquinolin-8-yl)sulfanylethanol

2-(5,7-dinitroquinolin-8-yl)sulfanylethanol

Systemtic Name:2-(5,7-dinitroquinolin-8-yl)sulfanylethanol
Openeye Name:2-[(5,7-dinitro-8-quinolyl)sulfanyl]ethanol
CAS Name:2-[(5,7-dinitro-8-quinolinyl)thio]ethanol
IUPAC Name:2-(5,7-dinitroquinolin-8-yl)sulfanylethanol
Traditional Name:2-[(5,7-dinitro-8-quinolyl)thio]ethanol
Formula: C11H9N3O5S
MolecularWeight: 295.27126
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCCO)N=C1


Isomeric SMILES

C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])SCCO)N=C1


InChI

InChI=1S/C11H9N3O5S/c15-4-5-20-11-9(14(18)19)6-8(13(16)17)7-2-1-3-12-10(7)11/h1-3,6,15H,4-5H2


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