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

Systemtic Name: 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydrochromen-1-ium; trifluoromethanesulfonate CAS Name: 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium; trifluoromethanesulfonate IUPAC Name: 4-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydrochromen-1-ium; trifluoromethanesulfonate Traditional Name: 2-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydrochromen-1-ium triflate Formula: C23H21F3O4S MolecularWeight: 450.47065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[O+]C3=C2CCCC3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[O+]C3=C2CCCC3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H21O.CHF3O3S/c1-16-11-13-17(14-12-16)20-15-22(18-7-3-2-4-8-18)23-21-10-6-5-9-19(20)21;2-1(3,4)8(5,6)7/h2-4,7-8,11-15H,5-6,9-10H2,1H3;(H,5,6,7)/q+1;/p-1