dibutyl phosphate; methyl 3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: dibutyl phosphate; methyl 3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: dibutyl phosphate; methyl 3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: dibutyl phosphate; 3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: dibutyl phosphate; methyl 3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: dibutyl phosphate; 3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C12H23F3O7P- MolecularWeight: 367.275791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)([O-])OCCCC.COC(=O)C(C(F)(F)F)O

Isomeric SMILES

CCCCOP(=O)([O-])OCCCC.COC(=O)C(C(F)(F)F)O

InChI

InChI=1S/C8H19O4P.C4H5F3O3/c1-3-5-7-11-13(9,10)12-8-6-4-2;1-10-3(9)2(8)4(5,6)7/h3-8H2,1-2H3,(H,9,10);2,8H,1H3/p-1