1-(1,3-ditert-butylazulen-5-yl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1,3-ditert-butylazulen-5-yl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,3-ditert-butylazulen-5-yl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(1,3-ditert-butyl-5-azulenyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(1,3-ditert-butylazulen-5-yl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(1,3-ditert-butylazulen-5-yl)pyridin-1-ium triflate Formula: C24H28F3NO3S MolecularWeight: 467.54423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C1=CC(=CC=C2)[N+]3=CC=CC=C3)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C1=CC(=CC=C2)[N+]3=CC=CC=C3)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H28N.CHF3O3S/c1-22(2,3)20-16-21(23(4,5)6)19-15-17(11-10-12-18(19)20)24-13-8-7-9-14-24;2-1(3,4)8(5,6)7/h7-16H,1-6H3;(H,5,6,7)/q+1;/p-1