2-tert-butyl-4-phenyl-5,6,7,8-tetrahydrochromen-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-tert-butyl-4-phenyl-5,6,7,8-tetrahydrochromen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-tert-butyl-4-phenyl-5,6,7,8-tetrahydrochromen-1-ium; trifluoromethanesulfonate CAS Name: 2-tert-butyl-4-phenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium; trifluoromethanesulfonate IUPAC Name: 2-tert-butyl-4-phenyl-5,6,7,8-tetrahydrochromen-1-ium; trifluoromethanesulfonate Traditional Name: 2-tert-butyl-4-phenyl-5,6,7,8-tetrahydrochromen-1-ium triflate Formula: C20H23F3O4S MolecularWeight: 416.45443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[O+]C2=C(CCCC2)C(=C1)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=[O+]C2=C(CCCC2)C(=C1)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H23O.CHF3O3S/c1-19(2,3)18-13-16(14-9-5-4-6-10-14)15-11-7-8-12-17(15)20-18;2-1(3,4)8(5,6)7/h4-6,9-10,13H,7-8,11-12H2,1-3H3;(H,5,6,7)/q+1;/p-1