2,2-bis(hydroxymethyl)propane-1,3-diol; cyano 2,2,2-tricyanoethanoate

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; cyano 2,2,2-tricyanoethanoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; cyano 2,2,2-tricyanoacetate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2,2,2-tricyanoacetic acid cyano ester IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; cyano 2,2,2-tricyanoacetate Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2,2,2-tricyanoacetic acid cyano ester Formula: C11H12N4O6 MolecularWeight: 296.23618

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)(CO)CO)O.C(#N)C(C#N)(C#N)C(=O)OC#N

Isomeric SMILES

C(C(CO)(CO)CO)O.C(#N)C(C#N)(C#N)C(=O)OC#N

InChI

InChI=1S/C6N4O2.C5H12O4/c7-1-6(2-8,3-9)5(11)12-4-10;6-1-5(2-7,3-8)4-9/h;6-9H,1-4H2