4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;4-methylbenzenesulfonate
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![4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/95627dd3033549ef8102dfb98c8fd150.png "4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;4-methylbenzenesulfonate")
4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;4-methylbenzenesulfonate
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CAS No:
66827-30-3
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Formula:
C50H84N2O6S2
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Chemical Name:
4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;4-methylbenzenesulfonate
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Synonyms:
66827-30-3;DTXSID50985393;Ammonium, tetramethylenebis(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butyl)bis(dimethyl-, bis(p-toluenesulfonate), sesquihydrate;N~1~,N~1~,N~4~,N~4~-Tetramethyl-N~1~,N~4~-bis[2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)butyl]butane-1,4-bis(aminium) bis(4-methylbenzene-1-sulfonate)
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CAS No:
4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;4-methylbenzenesulfonate Basic Attributes
873.3 g/mol
872.57708075 g/mol
Computed Properties
Molecular Weight:873.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:15
Exact Mass:872.57708075
Monoisotopic Mass:872.57708075
Topological Polar Surface Area:131
Heavy Atom Count:60
Complexity:932
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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