calcium; dihydrogen phosphate; 5,6-dimethyl-1H-pyrimidin-2-one; hydrogen sulfite

Systemtic Name: calcium; dihydrogen phosphate; 5,6-dimethyl-1H-pyrimidin-2-one; hydrogen sulfite Openeye Name: calcium; dihydrogen phosphate; 5,6-dimethyl-1H-pyrimidin-2-one; hydrogen sulfite CAS Name: calcium; dihydrogen phosphate; 5,6-dimethyl-1H-pyrimidin-2-one; hydrogen sulfite IUPAC Name: calcium; dihydrogen phosphate; 5,6-dimethyl-1H-pyrimidin-2-one; hydrogen sulfite Traditional Name: calcium; dihydrogen phosphate; 5,6-dimethyl-1H-pyrimidin-2-one; dibisulfite Formula: C6H12CaN2O11PS2- MolecularWeight: 423.348041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N=C1)C.OP(=O)(O)[O-].OS(=O)[O-].OS(=O)[O-].[Ca+2]

Isomeric SMILES

CC1=C(NC(=O)N=C1)C.OP(=O)(O)[O-].OS(=O)[O-].OS(=O)[O-].[Ca+2]

InChI

InChI=1S/C6H8N2O.Ca.H3O4P.2H2O3S/c1-4-3-7-6(9)8-5(4)2;;1-5(2,3)4;2*1-4(2)3/h3H,1-2H3,(H,7,8,9);;(H3,1,2,3,4);2*(H2,1,2,3)/q;+2;;;/p-3