3-methyl-1-phosphonato-3-(trifluoromethyl)heptan-2-one

Systemtic Name: 3-methyl-1-phosphonato-3-(trifluoromethyl)heptan-2-one Openeye Name: 3-methyl-1-phosphonato-3-(trifluoromethyl)heptan-2-one CAS Name: 3-methyl-1-phosphonato-3-(trifluoromethyl)-2-heptanone IUPAC Name: 3-methyl-1-phosphonato-3-(trifluoromethyl)heptan-2-one Traditional Name: 3-methyl-1-phosphonato-3-(trifluoromethyl)heptan-2-one Formula: C9H14F3O4P-2 MolecularWeight: 274.174031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)CP(=O)([O-])[O-])C(F)(F)F

Isomeric SMILES

CCCCC(C)(C(=O)CP(=O)([O-])[O-])C(F)(F)F

InChI

InChI=1S/C9H16F3O4P/c1-3-4-5-8(2,9(10,11)12)7(13)6-17(14,15)16/h3-6H2,1-2H3,(H2,14,15,16)/p-2