(2,5-dimethylphenyl)-bis(3-methoxy-3-oxidanylidene-propyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,5-dimethylphenyl)-bis(3-methoxy-3-oxidanylidene-propyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (2,5-dimethylphenyl)-bis(3-methoxy-3-oxo-propyl)sulfonium; trifluoromethanesulfonate CAS Name: (2,5-dimethylphenyl)-bis(3-methoxy-3-oxopropyl)sulfonium; trifluoromethanesulfonate IUPAC Name: (2,5-dimethylphenyl)-bis(3-methoxy-3-oxopropyl)sulfanium; trifluoromethanesulfonate Traditional Name: (2,5-dimethylphenyl)-bis(3-keto-3-methoxy-propyl)sulfonium triflate Formula: C17H23F3O7S2 MolecularWeight: 460.48553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23O4S.CHF3O3S/c1-12-5-6-13(2)14(11-12)21(9-7-15(17)19-3)10-8-16(18)20-4;2-1(3,4)8(5,6)7/h5-6,11H,7-10H2,1-4H3;(H,5,6,7)/q+1;/p-1