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4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dinitro-phenol

4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dinitro-phenol

Systemtic Name:4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dinitro-phenol
Openeye Name:4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dinitro-phenol
CAS Name:4-(1,3-benzoxazol-2-ylthio)-2,6-dinitrophenol
IUPAC Name:4-(1,3-benzoxazol-2-ylsulfanyl)-2,6-dinitrophenol
Traditional Name:4-(1,3-benzoxazol-2-ylthio)-2,6-dinitro-phenol
Formula: C13H7N3O6S
MolecularWeight: 333.27618
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]


InChI

InChI=1S/C13H7N3O6S/c17-12-9(15(18)19)5-7(6-10(12)16(20)21)23-13-14-8-3-1-2-4-11(8)22-13/h1-6,17H


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