[1-azanyl-2-(4-nitrophenyl)-1-[oxidanyl(oxidanylidene)phosphaniumyl]ethyl]-oxidanyl-oxidanylidene-phosphanium dihydrate

Systemtic Name: [1-azanyl-2-(4-nitrophenyl)-1-[oxidanyl(oxidanylidene)phosphaniumyl]ethyl]-oxidanyl-oxidanylidene-phosphanium dihydrate Openeye Name: [1-amino-1-[hydroxy(oxo)phosphaniumyl]-2-(4-nitrophenyl)ethyl]-hydroxy-oxo-phosphonium dihydrate CAS Name: [1-amino-1-[hydroxy(oxo)phosphiniumyl]-2-(4-nitrophenyl)ethyl]-hydroxy-oxophosphonium dihydrate IUPAC Name: [1-amino-1-[hydroxy(oxo)phosphaniumyl]-2-(4-nitrophenyl)ethyl]-hydroxy-oxophosphanium dihydrate Traditional Name: [1-amino-1-[hydroxy(keto)phosphiniumyl]-2-(4-nitrophenyl)ethyl]-hydroxy-keto-phosphonium dihydrate Formula: C8H14N2O8P2+2 MolecularWeight: 328.152882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(N)([P+](=O)O)[P+](=O)O)[N+](=O)[O-].O.O

Isomeric SMILES

C1=CC(=CC=C1CC(N)([P+](=O)O)[P+](=O)O)[N+](=O)[O-].O.O

InChI

InChI=1S/C8H8N2O6P2.2H2O/c9-8(17(13)14,18(15)16)5-6-1-3-7(4-2-6)10(11)12;;/h1-4H,5,9H2;2*1H2/p+2