sodium; 1-chloranyl-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol; dihydrogen phosphate

Systemtic Name: sodium; 1-chloranyl-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol; dihydrogen phosphate Openeye Name: sodium; 1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol; dihydrogen phosphate CAS Name: sodium; 1-chloro-3-(2-methyl-5-nitro-1-imidazolyl)-2-propanol; dihydrogen phosphate IUPAC Name: sodium; 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol; dihydrogen phosphate Traditional Name: sodium; 1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol; dihydrogen phosphate Formula: C7H12ClN3NaO7P MolecularWeight: 339.602611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-].OP(=O)(O)[O-].[Na+]

Isomeric SMILES

CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-].OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C7H10ClN3O3.Na.H3O4P/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8;;1-5(2,3)4/h3,6,12H,2,4H2,1H3;;(H3,1,2,3,4)/q;+1;/p-1