Basic information
- CAS
51943-57-8- Standard SMILES
CCN1/C(=C/C=C/c2sc3cc4ccccc4cc3[n+]2CC)Sc2cc3ccccc3cc21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
OJLFFQBCJRZSRB-UHFFFAOYSA-M- Molecular formula
- C36H32N2O3S3
- Average molar mass
- 636.9 g/mol
- Monoisotopic mass
- 636.15750641
Names & identifiers
- Preferred name
- (2Z)-3-ethyl-2-[(E)-3-(3-ethylbenzo[f][1,3]benzothiazol-3-ium-2-yl)prop-2-enylidene]benzo[f][1,3]benzothiazole;4-methylbenzenesulfonate
- IUPAC
- (2Z)-3-ethyl-2-[(E)-3-(3-ethylbenzo[f][1,3]benzothiazol-3-ium-2-yl)prop-2-enylidene]benzo[f][1,3]benzothiazole;4-methylbenzenesulfonate
Names & synonyms
51943-57-8Naphtho(2,3-d)thiazolium, 3-ethyl-2-(3-(3-ethylnaphtho(2,3-d)thiazol-2(3H)-ylidene)-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1)DTXSID201999203-Ethyl-2-[(1E,3E)-3-(3-ethylnaphtho[2,3-d][1,3]thiazol-2(3H)-ylidene)prop-1-en-1-yl]naphtho[2,3-d][1,3]thiazol-3-ium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
51943-57-8- PubChem CID
- 11635945
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 883
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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