calcium; hydrogen phosphate; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde

Systemtic Name: calcium; hydrogen phosphate; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde Openeye Name: calcium; hydrogen phosphate; 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde CAS Name: calcium; hydrogen phosphate; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde IUPAC Name: calcium; hydrogen phosphate; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Traditional Name: calcium; hydrogen phosphate; 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde Formula: C8H10CaNO7P MolecularWeight: 303.219261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)CO.OP(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)CO.OP(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/C8H9NO3.Ca.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;;1-5(2,3)4/h2,4,10,12H,3H2,1H3;;(H3,1,2,3,4)/q;+2;/p-2