(E)-2-methyloct-2-enoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (E)-2-methyloct-2-enoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (E)-2-methyloct-2-enoic acid; 2,2,2-trifluoroacetic acid CAS Name: (E)-2-methyl-2-octenoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (E)-2-methyloct-2-enoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (E)-2-methyloct-2-enoic acid; 2,2,2-trifluoroacetic acid Formula: C13H18F6O6 MolecularWeight: 384.268839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C)C(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCC/C=C(\C)/C(=O)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C9H16O2.2C2HF3O2/c1-3-4-5-6-7-8(2)9(10)11;2*3-2(4,5)1(6)7/h7H,3-6H2,1-2H3,(H,10,11);2*(H,6,7)/b8-7+;;