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3-(1,3-benzothiazol-2-ylsulfanyl)-2,4-dinitro-phenol

3-(1,3-benzothiazol-2-ylsulfanyl)-2,4-dinitro-phenol

Systemtic Name:3-(1,3-benzothiazol-2-ylsulfanyl)-2,4-dinitro-phenol
Openeye Name:3-(1,3-benzothiazol-2-ylsulfanyl)-2,4-dinitro-phenol
CAS Name:3-(1,3-benzothiazol-2-ylthio)-2,4-dinitrophenol
IUPAC Name:3-(1,3-benzothiazol-2-ylsulfanyl)-2,4-dinitrophenol
Traditional Name:3-(1,3-benzothiazol-2-ylthio)-2,4-dinitro-phenol
Formula: C13H7N3O5S2
MolecularWeight: 349.34178
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3[N+](=O)[O-])O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC(=C3[N+](=O)[O-])O)[N+](=O)[O-]


InChI

InChI=1S/C13H7N3O5S2/c17-9-6-5-8(15(18)19)12(11(9)16(20)21)23-13-14-7-3-1-2-4-10(7)22-13/h1-6,17H


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