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

Systemtic Name: 3-(4-bromanyl-2-nitro-phenoxy)pentan-3-ylphosphonic acid Openeye Name: [1-(4-bromo-2-nitro-phenoxy)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(4-bromo-2-nitrophenoxy)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-bromo-2-nitrophenoxy)pentan-3-ylphosphonic acid Traditional Name: [1-(4-bromo-2-nitro-phenoxy)-1-ethyl-propyl]phosphonic acid Formula: C11H15BrNO6P MolecularWeight: 368.117661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15BrNO6P/c1-3-11(4-2,20(16,17)18)19-10-6-5-8(12)7-9(10)13(14)15/h5-7H,3-4H2,1-2H3,(H2,16,17,18)