Basic information
- CAS
17852-69-6- Standard SMILES
CC[n+]1c(C=C2[Se]c3ccc(OC)cc3N2CCCS(=O)(=O)[O-])ccc2cc(OC)ccc21- InChIKey
TULGBBGFVMDUFF-UHFFFAOYSA-N- Molecular formula
- C24H26N2O5SSe
- Average molar mass
- 533.5 g/mol
- Monoisotopic mass
- 534.07276
Names & identifiers
- Preferred name
- 1-Ethyl-6-methoxy-2-((5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)quinolinium
- IUPAC
- 3-[2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazol-3-yl]propane-1-sulfonate
Names & synonyms
17852-69-61-Ethyl-6-methoxy-2-((5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)quinoliniumEINECS 241-805-93-[2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazol-3-yl]propane-1-sulfonateTULGBBGFVMDUFF-UHFFFAOYSA-NDTXSID001704991-ethyl-6-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinoliniuNS000855253-{2-[(1-Ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazol-3(2H)-yl}propane-1-sulfonate
Database identifiers
- CAS
17852-69-6- PubChem CID
- 86629
- DTXSID
DTXSID00170499- EC Number
- 241-805-9
Properties
Computed structural properties
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 775
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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