2-ethyl-3,3-bis(hydroxymethyl)pentane-1,1,1,5-tetrol hexanitrate

Systemtic Name: 2-ethyl-3,3-bis(hydroxymethyl)pentane-1,1,1,5-tetrol hexanitrate Openeye Name: 2-ethyl-3,3-bis(hydroxymethyl)pentane-1,1,1,5-tetrol hexanitrate CAS Name: 2-ethyl-3,3-bis(hydroxymethyl)pentane-1,1,1,5-tetrol hexanitrate IUPAC Name: 2-ethyl-3,3-bis(hydroxymethyl)pentane-1,1,1,5-tetrol hexanitrate Traditional Name: 2-ethyl-3,3-dimethylol-pentane-1,1,1,5-tetrol hexanitrate Formula: C9H20N6O24-6 MolecularWeight: 596.2809

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCO)(CO)CO)C(O)(O)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

CCC(C(CCO)(CO)CO)C(O)(O)O.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C9H20O6.6NO3/c1-2-7(9(13,14)15)8(5-11,6-12)3-4-10;6*2-1(3)4/h7,10-15H,2-6H2,1H3;;;;;;/q;6*-1