benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3h)-benzoselenazolylidene)methyl)-1-buten-1-yl)-, inner salt
Basic information
- CAS
76213-48-4- Standard SMILES
CCC(/C=C1\Oc2ccc(-c3ccccc3)cc2N1C)=C\c1[se]c2ccccc2[n+]1CCC(C)S(=O)(=O)[O-]- InChIKey
QDAWKUJXWZSGKT-UHFFFAOYSA-N- Molecular formula
- C30H30N2O4SSe
- Average molar mass
- 593.6 g/mol
- Monoisotopic mass
- 594.10915
Names & identifiers
- Preferred name
- benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3h)-benzoselenazolylidene)methyl)-1-buten-1-yl)-, inner salt
- IUPAC
- 4-[2-[(E)-2-[(Z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
Names & synonyms
76213-48-4EINECS 278-389-3Benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-, inner saltBenzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-, inner saltBenzoxazolium, 3-methyl-5-phenyl-2-[2-[[3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene]methyl]-1-buten-1-yl]-, inner saltRefChem:1187503-Methyl-5-phenyl-2-(2-((3-(3-sulphonatobutyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)benzoxazoliumDTXSID801105205
Database identifiers
- CAS
76213-48-4- PubChem CID
- 5490791
- DTXSID
DTXSID801105205- EC Number
- 278-389-3
- Nikkaji
- J342.592D
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 960
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazolium, 3-methyl-5-phenyl-2-[2-[[3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene]methyl]-1-buten-1-yl]-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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