[2-methyl-1-oxidanyl-1-phosphono-2-[[3-(trifluoromethyl)phenyl]amino]butyl]phosphonic acid

Systemtic Name: [2-methyl-1-oxidanyl-1-phosphono-2-[[3-(trifluoromethyl)phenyl]amino]butyl]phosphonic acid Openeye Name: [1-hydroxy-2-methyl-1-phosphono-2-[3-(trifluoromethyl)anilino]butyl]phosphonic acid CAS Name: [1-hydroxy-2-methyl-1-phosphono-2-[3-(trifluoromethyl)anilino]butyl]phosphonic acid IUPAC Name: [1-hydroxy-2-methyl-1-phosphono-2-[3-(trifluoromethyl)anilino]butyl]phosphonic acid Traditional Name: [1-hydroxy-2-methyl-1-phosphono-2-[3-(trifluoromethyl)anilino]butyl]phosphonic acid Formula: C12H18F3NO7P2 MolecularWeight: 407.216552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H18F3NO7P2/c1-3-10(2,12(17,24(18,19)20)25(21,22)23)16-9-6-4-5-8(7-9)11(13,14)15/h4-7,16-17H,3H2,1-2H3,(H2,18,19,20)(H2,21,22,23)