CID3496846
potassium 2-[3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
Also Known As: potassium;2-[3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
CAS: 449175-57-9
| Molecular Formula | C31H37KN2O8S2 |
|---|---|
| Molecular Weight | 668.16284 g/mol |
| LogP | 1.7778 |
| Topological Polar Surface Area | 157.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 668.16284 |
| Monoisotopic Mass | 668.16284 |
| Heavy Atoms | 44 |
| Complexity | 1775.1687 |
Chemical Identifiers
| CAS Number | 449175-57-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCCCC(=O)O)(C)C.[K+] |
Product Overview
CID3496846 (CAS 449175-57-9), with molecular formula C31H37KN2O8S2 and molecular weight 668.16284 g/mol. IUPAC: potassium 2-[3-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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