1-tert-butyl-4-iodanyl-benzene; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-tert-butyl-4-iodanyl-benzene; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-tert-butyl-4-iodo-benzene; 2,2,2-trifluoroacetate CAS Name: 1-tert-butyl-4-iodobenzene; 2,2,2-trifluoroacetate IUPAC Name: 1-tert-butyl-4-iodobenzene; 2,2,2-trifluoroacetate Traditional Name: 1-tert-butyl-4-iodo-benzene; 2,2,2-trifluoroacetate Formula: C12H13F3IO2- MolecularWeight: 373.1301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)I.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)I.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C10H13I.C2HF3O2/c1-10(2,3)8-4-6-9(11)7-5-8;3-2(4,5)1(6)7/h4-7H,1-3H3;(H,6,7)/p-1