1-dodecyl-2-iodanyl-benzene; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-dodecyl-2-iodanyl-benzene; tris(fluoranyl)methanesulfonate Openeye Name: 1-dodecyl-2-iodo-benzene; trifluoromethanesulfonate CAS Name: 1-dodecyl-2-iodobenzene; trifluoromethanesulfonate IUPAC Name: 1-dodecyl-2-iodobenzene; trifluoromethanesulfonate Traditional Name: 1-iodo-2-lauryl-benzene triflate Formula: C19H29F3IO3S- MolecularWeight: 521.39644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H29I.CHF3O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;2-1(3,4)8(5,6)7/h12-13,15-16H,2-11,14H2,1H3;(H,5,6,7)/p-1