[(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid; 8-thiabicyclo[5.1.0]octane

Systemtic Name: [(2-nitrophenyl)-oxidanyl-methyl]phosphonic acid; 8-thiabicyclo[5.1.0]octane Openeye Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 8-thiabicyclo[5.1.0]octane CAS Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 8-thiabicyclo[5.1.0]octane IUPAC Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 8-thiabicyclo[5.1.0]octane Traditional Name: [hydroxy-(2-nitrophenyl)methyl]phosphonic acid; 8-thiabicyclo[5.1.0]octane Formula: C14H20NO6PS MolecularWeight: 361.350461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(S2)CC1.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(S2)CC1.C1=CC=C(C(=C1)C(O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H8NO6P.C7H12S/c9-7(15(12,13)14)5-3-1-2-4-6(5)8(10)11;1-2-4-6-7(8-6)5-3-1/h1-4,7,9H,(H2,12,13,14);6-7H,1-5H2