1-[[2-nitro-4-(trifluoromethyl)phenyl]amino]hexylphosphonic acid

Systemtic Name: 1-[[2-nitro-4-(trifluoromethyl)phenyl]amino]hexylphosphonic acid Openeye Name: 1-[2-nitro-4-(trifluoromethyl)anilino]hexylphosphonic acid CAS Name: 1-[2-nitro-4-(trifluoromethyl)anilino]hexylphosphonic acid IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)anilino]hexylphosphonic acid Traditional Name: 1-[2-nitro-4-(trifluoromethyl)anilino]hexylphosphonic acid Formula: C13H18F3N2O5P MolecularWeight: 370.261391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCCCCC(NC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C13H18F3N2O5P/c1-2-3-4-5-12(24(21,22)23)17-10-7-6-9(13(14,15)16)8-11(10)18(19)20/h6-8,12,17H,2-5H2,1H3,(H2,21,22,23)