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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C1[O+]=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1CCCC2=C1[O+]=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

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