tris(2-chloranyl-2-nitro-butyl) phosphate

Systemtic Name: tris(2-chloranyl-2-nitro-butyl) phosphate Openeye Name: tris(2-chloro-2-nitro-butyl) phosphate CAS Name: phosphoric acid tris(2-chloro-2-nitrobutyl) ester IUPAC Name: tris(2-chloro-2-nitrobutyl) phosphate Traditional Name: phosphoric acid tris(2-chloro-2-nitro-butyl) ester Formula: C12H21Cl3N3O10P MolecularWeight: 504.642001

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COP(=O)(OCC(CC)([N+](=O)[O-])Cl)OCC(CC)([N+](=O)[O-])Cl)([N+](=O)[O-])Cl

Isomeric SMILES

CCC(COP(=O)(OCC(CC)([N+](=O)[O-])Cl)OCC(CC)([N+](=O)[O-])Cl)([N+](=O)[O-])Cl

InChI

InChI=1S/C12H21Cl3N3O10P/c1-4-10(13,16(19)20)7-26-29(25,27-8-11(14,5-2)17(21)22)28-9-12(15,6-3)18(23)24/h4-9H2,1-3H3