[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)-oxidanyl-methyl]phosphonic acid

Systemtic Name: [(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)-oxidanyl-methyl]phosphonic acid Openeye Name: [hydroxy-[5-nitro-2-(2-pyridylsulfanyl)phenyl]methyl]phosphonic acid CAS Name: [hydroxy-[5-nitro-2-(2-pyridinylthio)phenyl]methyl]phosphonic acid IUPAC Name: [hydroxy-(5-nitro-2-pyridin-2-ylsulfanylphenyl)methyl]phosphonic acid Traditional Name: [hydroxy-[5-nitro-2-(2-pyridylthio)phenyl]methyl]phosphonic acid Formula: C12H11N2O6PS MolecularWeight: 342.264301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

Isomeric SMILES

C1=CC=NC(=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(O)P(=O)(O)O

InChI

InChI=1S/C12H11N2O6PS/c15-12(21(18,19)20)9-7-8(14(16)17)4-5-10(9)22-11-3-1-2-6-13-11/h1-7,12,15H,(H2,18,19,20)