bis(3-methoxy-3-oxidanylidene-propyl)-(4-phenoxyphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(3-methoxy-3-oxidanylidene-propyl)-(4-phenoxyphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(3-methoxy-3-oxo-propyl)-(4-phenoxyphenyl)sulfonium; trifluoromethanesulfonate CAS Name: bis(3-methoxy-3-oxopropyl)-(4-phenoxyphenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: bis(3-methoxy-3-oxopropyl)-(4-phenoxyphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: bis(3-keto-3-methoxy-propyl)-(4-phenoxyphenyl)sulfonium triflate Formula: C21H23F3O8S2 MolecularWeight: 524.52773

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[S+](CCC(=O)OC)C1=CC=C(C=C1)OC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)CC[S+](CCC(=O)OC)C1=CC=C(C=C1)OC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H23O5S.CHF3O3S/c1-23-19(21)12-14-26(15-13-20(22)24-2)18-10-8-17(9-11-18)25-16-6-4-3-5-7-16;2-1(3,4)8(5,6)7/h3-11H,12-15H2,1-2H3;(H,5,6,7)/q+1;/p-1