[4-(2-methylpropoxycarbonyl)-2,6-dinitro-phenyl]phosphonic acid

Systemtic Name: [4-(2-methylpropoxycarbonyl)-2,6-dinitro-phenyl]phosphonic acid Openeye Name: (4-isobutoxycarbonyl-2,6-dinitro-phenyl)phosphonic acid CAS Name: [4-[2-methylpropoxy(oxo)methyl]-2,6-dinitrophenyl]phosphonic acid IUPAC Name: [4-(2-methylpropoxycarbonyl)-2,6-dinitrophenyl]phosphonic acid Traditional Name: (4-isobutoxycarbonyl-2,6-dinitro-phenyl)phosphonic acid Formula: C11H13N2O9P MolecularWeight: 348.202681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N2O9P/c1-6(2)5-22-11(14)7-3-8(12(15)16)10(23(19,20)21)9(4-7)13(17)18/h3-4,6H,5H2,1-2H3,(H2,19,20,21)