disodium (4-nitrophenyl) hydrogen phosphate hexahydrate

Systemtic Name: disodium (4-nitrophenyl) hydrogen phosphate hexahydrate Openeye Name: disodium (4-nitrophenyl) hydrogen phosphate hexahydrate CAS Name: disodium (4-nitrophenyl) hydrogen phosphate hexahydrate IUPAC Name: disodium (4-nitrophenyl) hydrogen phosphate hexahydrate Traditional Name: disodium (4-nitrophenyl) hydrogen phosphate hexahydrate Formula: C12H22N2Na2O18P2 MolecularWeight: 590.232742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)[O-].C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)[O-].O.O.O.O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)[O-].C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)[O-].O.O.O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/2C6H6NO6P.2Na.6H2O/c2*8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;;;;;;;/h2*1-4H,(H2,10,11,12);;;6*1H2/q;;2*+1;;;;;;/p-2