2,4,6-tris(dimethylamino)cyclohexane-1,1,2-triol hydrate

Systemtic Name: 2,4,6-tris(dimethylamino)cyclohexane-1,1,2-triol hydrate Openeye Name: 2,4,6-tris(dimethylamino)cyclohexane-1,1,2-triol hydrate CAS Name: 2,4,6-tris(dimethylamino)cyclohexane-1,1,2-triol hydrate IUPAC Name: 2,4,6-tris(dimethylamino)cyclohexane-1,1,2-triol hydrate Traditional Name: 2,4,6-tris(dimethylamino)cyclohexane-1,1,2-triol hydrate Formula: C12H29N3O4 MolecularWeight: 279.37636

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CC(C(C(C1)(N(C)C)O)(O)O)N(C)C.O

Isomeric SMILES

CN(C)C1CC(C(C(C1)(N(C)C)O)(O)O)N(C)C.O

InChI

InChI=1S/C12H27N3O3.H2O/c1-13(2)9-7-10(14(3)4)12(17,18)11(16,8-9)15(5)6;/h9-10,16-18H,7-8H2,1-6H3;1H2