hexane; methanol; propan-2-ol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: hexane; methanol; propan-2-ol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: hexane; methanol; propan-2-ol; 2,2,2-trifluoroacetic acid CAS Name: hexane; methanol; 2-propanol; 2,2,2-trifluoroacetic acid IUPAC Name: hexane; methanol; propan-2-ol; 2,2,2-trifluoroacetic acid Traditional Name: methanol; n-hexane; propan-2-ol; 2,2,2-trifluoroacetic acid Formula: C12H27F3O4 MolecularWeight: 292.33559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14.C3H8O.C2HF3O2.CH4O/c1-3-5-6-4-2;1-3(2)4;3-2(4,5)1(6)7;1-2/h3-6H2,1-2H3;3-4H,1-2H3;(H,6,7);2H,1H3