4-methylpentanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-methylpentanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-methylpentanoate; 2,2,2-trifluoroacetic acid CAS Name: 4-methylpentanoate; 2,2,2-trifluoroacetic acid IUPAC Name: 4-methylpentanoate; 2,2,2-trifluoroacetic acid Traditional Name: 4-methylvalerate; 2,2,2-trifluoroacetic acid Formula: C8H12F3O4- MolecularWeight: 229.17369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)CCC(=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C6H12O2.C2HF3O2/c1-5(2)3-4-6(7)8;3-2(4,5)1(6)7/h5H,3-4H2,1-2H3,(H,7,8);(H,6,7)/p-1