(5-bromanyl-2-methoxy-phenyl)-bis(3-methoxy-3-oxidanylidene-propyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)-bis(3-methoxy-3-oxidanylidene-propyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (5-bromo-2-methoxy-phenyl)-bis(3-methoxy-3-oxo-propyl)sulfonium; trifluoromethanesulfonate CAS Name: (5-bromo-2-methoxyphenyl)-bis(3-methoxy-3-oxopropyl)sulfonium; trifluoromethanesulfonate IUPAC Name: (5-bromo-2-methoxyphenyl)-bis(3-methoxy-3-oxopropyl)sulfanium; trifluoromethanesulfonate Traditional Name: (5-bromo-2-methoxy-phenyl)-bis(3-keto-3-methoxy-propyl)sulfonium triflate Formula: C16H20BrF3O8S2 MolecularWeight: 541.35441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)[S+](CCC(=O)OC)CCC(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[S+](CCC(=O)OC)CCC(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H20BrO5S.CHF3O3S/c1-19-12-5-4-11(16)10-13(12)22(8-6-14(17)20-2)9-7-15(18)21-3;2-1(3,4)8(5,6)7/h4-5,10H,6-9H2,1-3H3;(H,5,6,7)/q+1;/p-1