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5-nitro-2-pyrimidin-2-ylsulfanyl-benzoic acid

5-nitro-2-pyrimidin-2-ylsulfanyl-benzoic acid

Systemtic Name:5-nitro-2-pyrimidin-2-ylsulfanyl-benzoic acid
Openeye Name:5-nitro-2-pyrimidin-2-ylsulfanyl-benzoic acid
CAS Name:5-nitro-2-(2-pyrimidinylthio)benzoic acid
IUPAC Name:5-nitro-2-pyrimidin-2-ylsulfanylbenzoic acid
Traditional Name:5-nitro-2-(2-pyrimidylthio)benzoic acid
Formula: C11H7N3O4S
MolecularWeight: 277.25598
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C11H7N3O4S/c15-10(16)8-6-7(14(17)18)2-3-9(8)19-11-12-4-1-5-13-11/h1-6H,(H,15,16)


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