7-phenyl-5,6,8,9,10,11-hexahydrobenzo[c]xanthen-12-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 7-phenyl-5,6,8,9,10,11-hexahydrobenzo[c]xanthen-12-ium; tris(fluoranyl)methanesulfonate Openeye Name: 7-phenyl-5,6,8,9,10,11-hexahydrobenzo[c]xanthen-12-ium; trifluoromethanesulfonate CAS Name: 7-phenyl-5,6,8,9,10,11-hexahydrobenzo[c]xanthen-12-ium; trifluoromethanesulfonate IUPAC Name: 7-phenyl-5,6,8,9,10,11-hexahydrobenzo[c]xanthen-12-ium; trifluoromethanesulfonate Traditional Name: 7-phenyl-5,6,8,9,10,11-hexahydrobenzo[c]xanthen-12-ium triflate Formula: C24H21F3O4S MolecularWeight: 462.48135

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3CCC4=CC=CC=C4C3=[O+]2)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C3CCC4=CC=CC=C4C3=[O+]2)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H21O.CHF3O3S/c1-2-9-17(10-3-1)22-19-12-6-7-13-21(19)24-23-18-11-5-4-8-16(18)14-15-20(22)23;2-1(3,4)8(5,6)7/h1-5,8-11H,6-7,12-15H2;(H,5,6,7)/q+1;/p-1