3-butyl-1,3-thiazol-3-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-butyl-1,3-thiazol-3-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-butylthiazol-3-ium; 2,2,2-trifluoroacetate CAS Name: 3-butylthiazol-3-ium; 2,2,2-trifluoroacetate IUPAC Name: 3-butyl-1,3-thiazol-3-ium; 2,2,2-trifluoroacetate Traditional Name: 3-butylthiazol-3-ium; 2,2,2-trifluoroacetate Formula: C9H12F3NO2S MolecularWeight: 255.25729

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CSC=C1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCC[N+]1=CSC=C1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C7H12NS.C2HF3O2/c1-2-3-4-8-5-6-9-7-8;3-2(4,5)1(6)7/h5-7H,2-4H2,1H3;(H,6,7)/q+1;/p-1