[(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid; 7-thiabicyclo[4.1.0]heptane

Systemtic Name: [(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid; 7-thiabicyclo[4.1.0]heptane Openeye Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 7-thiabicyclo[4.1.0]heptane CAS Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 7-thiabicyclo[4.1.0]heptane IUPAC Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 7-thiabicyclo[4.1.0]heptane Traditional Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 7-thiabicyclo[4.1.0]heptane Formula: C13H18NO6PS MolecularWeight: 347.323881

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)S2.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)S2.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H8NO6P.C6H10S/c9-7(15(12,13)14)5-3-1-2-4-6(5)8(10)11;1-2-4-6-5(3-1)7-6/h1-4,7,9H,(H2,12,13,14);5-6H,1-4H2