2-(hydroxymethyl)-2-methyl-propane-1,3-diol; methanal; nickel(2+); diphosphite

Systemtic Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; methanal; nickel(2+); diphosphite Openeye Name: trinickelous; formaldehyde; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; diphosphite CAS Name: formaldehyde; 2-(hydroxymethyl)-2-methylpropane-1,3-diol; nickel(2+); diphosphite IUPAC Name: formaldehyde; 2-(hydroxymethyl)-2-methylpropane-1,3-diol; nickel(2+); diphosphite Traditional Name: trinickelous; formaldehyde; 2-methyl-2-methylol-propane-1,3-diol; diphosphite Formula: C19H42Ni3O21P2 MolecularWeight: 844.551902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)CO.CC(CO)(CO)CO.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.[O-]P([O-])[O-].[O-]P([O-])[O-].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

CC(CO)(CO)CO.CC(CO)(CO)CO.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.[O-]P([O-])[O-].[O-]P([O-])[O-].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/2C5H12O3.9CH2O.3Ni.2O3P/c2*1-5(2-6,3-7)4-8;9*1-2;;;;2*1-4(2)3/h2*6-8H,2-4H2,1H3;9*1H2;;;;;/q;;;;;;;;;;;3*+2;2*-3