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

Systemtic Name: [4-(4-nitrophenoxy)-1-phosphono-butan-2-yl]phosphonic acid Openeye Name: [4-(4-nitrophenoxy)-2-phosphono-butyl]phosphonic acid CAS Name: [4-(4-nitrophenoxy)-1-phosphonobutan-2-yl]phosphonic acid IUPAC Name: [4-(4-nitrophenoxy)-1-phosphonobutan-2-yl]phosphonic acid Traditional Name: [4-(4-nitrophenoxy)-2-phosphono-butyl]phosphonic acid Formula: C10H15NO9P2 MolecularWeight: 355.174922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO9P2/c12-11(13)8-1-3-9(4-2-8)20-6-5-10(22(17,18)19)7-21(14,15)16/h1-4,10H,5-7H2,(H2,14,15,16)(H2,17,18,19)