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

Systemtic Name: [[4-(2,4-dinitrophenoxy)-2-phosphonato-butyl]amino] phosphate Openeye Name: [[4-(2,4-dinitrophenoxy)-2-phosphonato-butyl]amino] phosphate CAS Name: [[4-(2,4-dinitrophenoxy)-2-phosphonatobutyl]amino] phosphate IUPAC Name: [[4-(2,4-dinitrophenoxy)-2-phosphonatobutyl]amino] phosphate Traditional Name: [[4-(2,4-dinitrophenoxy)-2-phosphonato-butyl]amino] phosphate Formula: C10H11N3O12P2-4 MolecularWeight: 427.154762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O12P2/c14-12(15)7-1-2-10(9(5-7)13(16)17)24-4-3-8(26(18,19)20)6-11-25-27(21,22)23/h1-2,5,8,11H,3-4,6H2,(H2,18,19,20)(H2,21,22,23)/p-4