[4-(2,4-dinitrophenoxy)-1-oxidanyl-butan-2-yl]phosphonic acid

Systemtic Name: [4-(2,4-dinitrophenoxy)-1-oxidanyl-butan-2-yl]phosphonic acid Openeye Name: [3-(2,4-dinitrophenoxy)-1-(hydroxymethyl)propyl]phosphonic acid CAS Name: [4-(2,4-dinitrophenoxy)-1-hydroxybutan-2-yl]phosphonic acid IUPAC Name: [4-(2,4-dinitrophenoxy)-1-hydroxybutan-2-yl]phosphonic acid Traditional Name: [3-(2,4-dinitrophenoxy)-1-methylol-propyl]phosphonic acid Formula: C10H13N2O9P MolecularWeight: 336.191981

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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)