[(2R,3S,5R)-5-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate

Systemtic Name: [(2R,3S,5R)-5-(6-nitro-1,3-benzodioxol-5-yl)-3-oxidanyl-oxolan-2-yl]methyl phosphate Openeye Name: [(2R,3S,5R)-3-hydroxy-5-(6-nitro-1,3-benzodioxol-5-yl)tetrahydrofuran-2-yl]methyl phosphate CAS Name: [(2R,3S,5R)-3-hydroxy-5-(6-nitro-1,3-benzodioxol-5-yl)-2-oxolanyl]methyl phosphate IUPAC Name: [(2R,3S,5R)-3-hydroxy-5-(6-nitro-1,3-benzodioxol-5-yl)oxolan-2-yl]methyl phosphate Traditional Name: [(2R,3S,5R)-3-hydroxy-5-(6-nitro-1,3-benzodioxol-5-yl)tetrahydrofuran-2-yl]methyl phosphate Formula: C12H12NO10P-2 MolecularWeight: 361.198141

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)COP(=O)([O-])[O-])O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)COP(=O)([O-])[O-])O

InChI

InChI=1S/C12H14NO10P/c14-8-3-9(23-12(8)4-22-24(17,18)19)6-1-10-11(21-5-20-10)2-7(6)13(15)16/h1-2,8-9,12,14H,3-5H2,(H2,17,18,19)/p-2/t8-,9+,12+/m0/s1