tricalcium 1,3,5-triazine diphosphate

Systemtic Name: tricalcium 1,3,5-triazine diphosphate Openeye Name: tricalcium 1,3,5-triazine diphosphate CAS Name: tricalcium 1,3,5-triazine diphosphate IUPAC Name: tricalcium 1,3,5-triazine diphosphate Traditional Name: tricalcium s-triazine diphosphate Formula: C9H9Ca3N9O8P2 MolecularWeight: 553.404782

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC=NC=N1.C1=NC=NC=N1.C1=NC=NC=N1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C1=NC=NC=N1.C1=NC=NC=N1.C1=NC=NC=N1.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/3C3H3N3.3Ca.2H3O4P/c3*1-4-2-6-3-5-1;;;;2*1-5(2,3)4/h3*1-3H;;;;2*(H3,1,2,3,4)/q;;;3*+2;;/p-6