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

Systemtic Name: dihexyl phosphate; methyl 3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: dihexyl phosphate; methyl 3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: dihexyl phosphate; 3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: dihexyl phosphate; methyl 3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: dihexyl phosphate; 3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C16H31F3O7P- MolecularWeight: 423.382111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=O)([O-])OCCCCCC.COC(=O)C(C(F)(F)F)O

Isomeric SMILES

CCCCCCOP(=O)([O-])OCCCCCC.COC(=O)C(C(F)(F)F)O

InChI

InChI=1S/C12H27O4P.C4H5F3O3/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;1-10-3(9)2(8)4(5,6)7/h3-12H2,1-2H3,(H,13,14);2,8H,1H3/p-1