4-(2,4-dinitrophenoxy)-2-phosphonato-butan-1-ol

Systemtic Name: 4-(2,4-dinitrophenoxy)-2-phosphonato-butan-1-ol Openeye Name: 4-(2,4-dinitrophenoxy)-2-phosphonato-butan-1-ol CAS Name: 4-(2,4-dinitrophenoxy)-2-phosphonato-1-butanol IUPAC Name: 4-(2,4-dinitrophenoxy)-2-phosphonatobutan-1-ol Traditional Name: 4-(2,4-dinitrophenoxy)-2-phosphonato-butan-1-ol Formula: C10H11N2O9P-2 MolecularWeight: 334.176101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N2O9P/c13-6-8(22(18,19)20)3-4-21-10-2-1-7(11(14)15)5-9(10)12(16)17/h1-2,5,8,13H,3-4,6H2,(H2,18,19,20)/p-2