2-tert-butyl-4,9-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-tert-butyl-4,9-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-tert-butyl-4,9-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium; trifluoromethanesulfonate CAS Name: 2-tert-butyl-4,9-diphenyl-5,6-dihydrobenzo[h][1]benzopyran-1-ium; trifluoromethanesulfonate IUPAC Name: 2-tert-butyl-4,9-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium; trifluoromethanesulfonate Traditional Name: 2-tert-butyl-4,9-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium triflate Formula: C30H27F3O4S MolecularWeight: 540.59319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[O+]C2=C(CCC3=C2C=C(C=C3)C4=CC=CC=C4)C(=C1)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=[O+]C2=C(CCC3=C2C=C(C=C3)C4=CC=CC=C4)C(=C1)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C29H27O.CHF3O3S/c1-29(2,3)27-19-25(21-12-8-5-9-13-21)24-17-16-22-14-15-23(18-26(22)28(24)30-27)20-10-6-4-7-11-20;2-1(3,4)8(5,6)7/h4-15,18-19H,16-17H2,1-3H3;(H,5,6,7)/q+1;/p-1