magnesium dipotassium [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methanolate dichloride dihydrate

Systemtic Name: magnesium dipotassium [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methanolate dichloride dihydrate Openeye Name: magnesium dipotassium [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methanolate dichloride dihydrate CAS Name: magnesium dipotassium [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methanolate dichloride dihydrate IUPAC Name: magnesium dipotassium [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methanolate dichloride dihydrate Traditional Name: magnesium dipotassium (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methanolate dichloride dihydrate Formula: C16H24Cl2K2MgN2O8 MolecularWeight: 545.77796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C[O-].CC1=NC=C(C(=C1O)CO)C[O-].O.O.[Mg+2].[Cl-].[Cl-].[K+].[K+]

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C[O-].CC1=NC=C(C(=C1O)CO)C[O-].O.O.[Mg+2].[Cl-].[Cl-].[K+].[K+]

InChI

InChI=1S/2C8H10NO3.2ClH.2K.Mg.2H2O/c2*1-5-8(12)7(4-11)6(3-10)2-9-5;;;;;;;/h2*2,11-12H,3-4H2,1H3;2*1H;;;;2*1H2/q2*-1;;;2*+1;+2;;/p-2