O1-(2-ethylhexyl) O5-methyl 3-(2-ethylhexyl)-5-nitro-1,3-diazinane-1,5-disulfonate

Systemtic Name: O1-(2-ethylhexyl) O5-methyl 3-(2-ethylhexyl)-5-nitro-1,3-diazinane-1,5-disulfonate Openeye Name: O1-(2-ethylhexyl) O5-methyl 3-(2-ethylhexyl)-5-nitro-hexahydropyrimidine-1,5-disulfonate CAS Name: 3-(2-ethylhexyl)-5-nitro-1,3-diazinane-1,5-disulfonic acid O1-(2-ethylhexyl) ester O5-methyl ester IUPAC Name: 1-O-(2-ethylhexyl) 5-O-methyl 3-(2-ethylhexyl)-5-nitro-1,3-diazinane-1,5-disulfonate Traditional Name: 3-(2-ethylhexyl)-5-nitro-hexahydropyrimidine-1,5-disulfonic acid O1-(2-ethylhexyl) ester O5-methyl ester Formula: C21H43N3O8S2 MolecularWeight: 529.71142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(CN(C1)S(=O)(=O)OCC(CC)CCCC)([N+](=O)[O-])S(=O)(=O)OC

Isomeric SMILES

CCCCC(CC)CN1CC(CN(C1)S(=O)(=O)OCC(CC)CCCC)([N+](=O)[O-])S(=O)(=O)OC

InChI

InChI=1S/C21H43N3O8S2/c1-6-10-12-19(8-3)14-22-16-21(24(25)26,33(27,28)31-5)17-23(18-22)34(29,30)32-15-20(9-4)13-11-7-2/h19-20H,6-18H2,1-5H3