Compound C50H84N2O6S2
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;bis(4-methylbenzenesulfonate)
| Molecular Formula | C50H84N2O6S2 |
|---|---|
| Molecular Weight | 873.3 g/mol |
| Topological Polar Surface Area | 131.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 872.5771 |
| Heavy Atoms | 60 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 66827-30-3 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | FZFSMRPRNMKAQE-UHFFFAOYSA-L |
📖 Product Overview
Compound C50H84N2O6S2 (CAS: 66827-30-3) is a chemical compound with molecular formula C50H84N2O6S2 and molecular weight 873.3 g/mol. Its IUPAC systematic name is 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;bis(4-methylbenzenesulfonate).
FZFSMRPRNMKAQE-UHFFFAOYSA-L.
SMILES: CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].
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