sodium bis[(4-nitrophenyl)methyl] phosphate

Systemtic Name: sodium bis[(4-nitrophenyl)methyl] phosphate Openeye Name: sodium bis[(4-nitrophenyl)methyl] phosphate CAS Name: sodium bis[(4-nitrophenyl)methyl] phosphate IUPAC Name: sodium bis[(4-nitrophenyl)methyl] phosphate Traditional Name: sodium bis(4-nitrobenzyl) phosphate Formula: C14H12N2NaO8P MolecularWeight: 390.217211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COP(=O)([O-])OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1COP(=O)([O-])OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C14H13N2O8P.Na/c17-15(18)13-5-1-11(2-6-13)9-23-25(21,22)24-10-12-3-7-14(8-4-12)16(19)20;/h1-8H,9-10H2,(H,21,22);/q;+1/p-1