3-(4-methoxy-2-nitro-phenoxy)pentan-3-ylphosphonic acid

Systemtic Name: 3-(4-methoxy-2-nitro-phenoxy)pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-(4-methoxy-2-nitro-phenoxy)propyl]phosphonic acid CAS Name: 3-(4-methoxy-2-nitrophenoxy)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-methoxy-2-nitrophenoxy)pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-(4-methoxy-2-nitro-phenoxy)propyl]phosphonic acid Formula: C12H18NO7P MolecularWeight: 319.247581

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=C(C=C(C=C1)OC)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=C(C=C(C=C1)OC)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C12H18NO7P/c1-4-12(5-2,21(16,17)18)20-11-7-6-9(19-3)8-10(11)13(14)15/h6-8H,4-5H2,1-3H3,(H2,16,17,18)