[[3-(2,4-dinitrophenoxy)-2-phosphonato-propyl]amino] phosphate

Systemtic Name: [[3-(2,4-dinitrophenoxy)-2-phosphonato-propyl]amino] phosphate Openeye Name: [[3-(2,4-dinitrophenoxy)-2-phosphonato-propyl]amino] phosphate CAS Name: [[3-(2,4-dinitrophenoxy)-2-phosphonatopropyl]amino] phosphate IUPAC Name: [[3-(2,4-dinitrophenoxy)-2-phosphonatopropyl]amino] phosphate Traditional Name: [[3-(2,4-dinitrophenoxy)-2-phosphonato-propyl]amino] phosphate Formula: C9H9N3O12P2-4 MolecularWeight: 413.128182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(CNOP(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(CNOP(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C9H13N3O12P2/c13-11(14)6-1-2-9(8(3-6)12(15)16)23-5-7(25(17,18)19)4-10-24-26(20,21)22/h1-3,7,10H,4-5H2,(H2,17,18,19)(H2,20,21,22)/p-4