calcium bis(4-nitrophenyl) phosphate

Systemtic Name: calcium bis(4-nitrophenyl) phosphate Openeye Name: calcium bis(4-nitrophenyl) phosphate CAS Name: calcium bis(4-nitrophenyl) phosphate IUPAC Name: calcium bis(4-nitrophenyl) phosphate Traditional Name: calcium bis(4-nitrophenyl) phosphate Formula: C24H16CaN4O16P2 MolecularWeight: 718.426562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])OC2=CC=C(C=C2)[N+](=O)[O-].C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])OC2=CC=C(C=C2)[N+](=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])OC2=CC=C(C=C2)[N+](=O)[O-].C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])OC2=CC=C(C=C2)[N+](=O)[O-].[Ca+2]

InChI

InChI=1S/2C12H9N2O8P.Ca/c2*15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18;/h2*1-8H,(H,19,20);/q;;+2/p-2