[4-[6-[4-(dimethylsulfoniomethyl)phenyl]-4-oxidanylidene-pyran-2-yl]phenyl]methyl-dimethyl-sulfanium dibromide

Systemtic Name: [4-[6-[4-(dimethylsulfoniomethyl)phenyl]-4-oxidanylidene-pyran-2-yl]phenyl]methyl-dimethyl-sulfanium dibromide Openeye Name: [4-[6-[4-(dimethylsulfoniomethyl)phenyl]-4-oxo-pyran-2-yl]phenyl]methyl-dimethyl-sulfonium dibromide CAS Name: [4-[6-[4-(dimethylsulfoniomethyl)phenyl]-4-oxo-2-pyranyl]phenyl]methyl-dimethylsulfonium dibromide IUPAC Name: [4-[6-[4-(dimethylsulfoniomethyl)phenyl]-4-oxopyran-2-yl]phenyl]methyl-dimethylsulfanium dibromide Traditional Name: [4-[6-[4-(dimethylsulfoniomethyl)phenyl]-4-keto-pyran-2-yl]benzyl]-dimethyl-sulfonium dibromide Formula: C23H26Br2O2S2 MolecularWeight: 558.38934

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CC1=CC=C(C=C1)C2=CC(=O)C=C(O2)C3=CC=C(C=C3)C[S+](C)C.[Br-].[Br-]

Isomeric SMILES

C[S+](C)CC1=CC=C(C=C1)C2=CC(=O)C=C(O2)C3=CC=C(C=C3)C[S+](C)C.[Br-].[Br-]

InChI

InChI=1S/C23H26O2S2.2BrH/c1-26(2)15-17-5-9-19(10-6-17)22-13-21(24)14-23(25-22)20-11-7-18(8-12-20)16-27(3)4;;/h5-14H,15-16H2,1-4H3;2*1H/q+2;;/p-2