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

Systemtic Name: bis(3-methoxy-3-oxidanylidene-propyl)-(4-methylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(3-methoxy-3-oxo-propyl)-(p-tolyl)sulfonium; trifluoromethanesulfonate CAS Name: bis(3-methoxy-3-oxopropyl)-(4-methylphenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: bis(3-methoxy-3-oxopropyl)-(4-methylphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: bis(3-keto-3-methoxy-propyl)-(p-tolyl)sulfonium triflate Formula: C16H21F3O7S2 MolecularWeight: 446.45895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](CCC(=O)OC)CCC(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](CCC(=O)OC)CCC(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H21O4S.CHF3O3S/c1-12-4-6-13(7-5-12)20(10-8-14(16)18-2)11-9-15(17)19-3;2-1(3,4)8(5,6)7/h4-7H,8-11H2,1-3H3;(H,5,6,7)/q+1;/p-1