disodium 1-(2-methyl-5-nitro-cyclopenta-2,4-dien-1-yl)propan-2-yl phosphate

Systemtic Name: disodium 1-(2-methyl-5-nitro-cyclopenta-2,4-dien-1-yl)propan-2-yl phosphate Openeye Name: disodium [1-methyl-2-(2-methyl-5-nitro-cyclopenta-2,4-dien-1-yl)ethyl] phosphate CAS Name: disodium 1-(2-methyl-5-nitro-1-cyclopenta-2,4-dienyl)propan-2-yl phosphate IUPAC Name: disodium 1-(2-methyl-5-nitrocyclopenta-2,4-dien-1-yl)propan-2-yl phosphate Traditional Name: disodium [1-methyl-2-(2-methyl-5-nitro-cyclopenta-2,4-dien-1-yl)ethyl] phosphate Formula: C9H12NNa2O6P MolecularWeight: 307.147981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C1CC(C)OP(=O)([O-])[O-])[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C1CC(C)OP(=O)([O-])[O-])[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H14NO6P.2Na/c1-6-3-4-9(10(11)12)8(6)5-7(2)16-17(13,14)15;;/h3-4,7-8H,5H2,1-2H3,(H2,13,14,15);;/q;2*+1/p-2