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

Systemtic Name: methanamine; [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; methanamine CAS Name: [1-hydroxy-2-methyl-1-phosphono-2-[3-(trifluoromethyl)anilino]butyl]phosphonic acid; methanamine IUPAC Name: [1-hydroxy-2-methyl-1-phosphono-2-[3-(trifluoromethyl)anilino]butyl]phosphonic acid; methanamine Traditional Name: [1-hydroxy-2-methyl-1-phosphono-2-[3-(trifluoromethyl)anilino]butyl]phosphonic acid; methylamine Formula: C13H23F3N2O7P2 MolecularWeight: 438.273652

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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.CN

Isomeric SMILES

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

InChI

InChI=1S/C12H18F3NO7P2.CH5N/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;1-2/h4-7,16-17H,3H2,1-2H3,(H2,18,19,20)(H2,21,22,23);2H2,1H3