2-(2-hydroxyethylsulfanyl)-4,6-dinitro-benzamide

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-4,6-dinitro-benzamide Openeye Name: 2-(2-hydroxyethylsulfanyl)-4,6-dinitro-benzamide CAS Name: 2-(2-hydroxyethylthio)-4,6-dinitrobenzamide IUPAC Name: 2-(2-hydroxyethylsulfanyl)-4,6-dinitrobenzamide Traditional Name: 2-(2-hydroxyethylthio)-4,6-dinitro-benzamide Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O6S/c10-9(14)8-6(12(17)18)3-5(11(15)16)4-7(8)19-2-1-13/h3-4,13H,1-2H2,(H2,10,14)