[1-(2,4-dinitrophenoxy)-3-phosphono-propan-2-yl]phosphonic acid

Systemtic Name: [1-(2,4-dinitrophenoxy)-3-phosphono-propan-2-yl]phosphonic acid Openeye Name: [1-[(2,4-dinitrophenoxy)methyl]-2-phosphono-ethyl]phosphonic acid CAS Name: [1-(2,4-dinitrophenoxy)-3-phosphonopropan-2-yl]phosphonic acid IUPAC Name: [1-(2,4-dinitrophenoxy)-3-phosphonopropan-2-yl]phosphonic acid Traditional Name: [1-[(2,4-dinitrophenoxy)methyl]-2-phosphono-ethyl]phosphonic acid Formula: C9H12N2O11P2 MolecularWeight: 386.145902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O11P2/c12-10(13)6-1-2-9(8(3-6)11(14)15)22-4-7(24(19,20)21)5-23(16,17)18/h1-3,7H,4-5H2,(H2,16,17,18)(H2,19,20,21)