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

Systemtic Name: [1-(4-nitrophenoxy)-3-phosphono-propan-2-yl]phosphonic acid Openeye Name: [1-[(4-nitrophenoxy)methyl]-2-phosphono-ethyl]phosphonic acid CAS Name: [1-(4-nitrophenoxy)-3-phosphonopropan-2-yl]phosphonic acid IUPAC Name: [1-(4-nitrophenoxy)-3-phosphonopropan-2-yl]phosphonic acid Traditional Name: [1-[(4-nitrophenoxy)methyl]-2-phosphono-ethyl]phosphonic acid Formula: C9H13NO9P2 MolecularWeight: 341.148342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO9P2/c11-10(12)7-1-3-8(4-2-7)19-5-9(21(16,17)18)6-20(13,14)15/h1-4,9H,5-6H2,(H2,13,14,15)(H2,16,17,18)