Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, inner salt, sodium salt (1:1)
Basic information
- CAS
16470-45-4- Standard SMILES
CCC(/C=C1\Sc2ccc3ccccc3c2N1CCCS(=O)(=O)[O-])=C\c1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-].[Na+]- InChIKey
OSCPLDUCTDFYNQ-UHFFFAOYSA-M- Molecular formula
- C33H31N2NaO6S4
- Average molar mass
- 702.9 g/mol
- Monoisotopic mass
- 702.09626569
Names & identifiers
- Preferred name
- Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, inner salt, sodium salt (1:1)
- IUPAC
- sodium 3-[(2Z)-2-[(2E)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonate
Names & synonyms
EINECS 240-525-416470-45-4Anhydro-4,5,4',5'-dibenzo-9-ethyl-3,3'-bis(gamma-sulfopropyl)-2,2'-thiacarbocyanine hydroxide, sodium saltNaphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, inner salt, sodium salt (1:1)Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)-, inner salt, sodium saltNaphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-buten-1-yl]-, inner salt, sodium salt (1:1)RefChem:164678hydrogen -1-(3-sulphonatopropyl)-2-[2-[[1-(3-sulphonatopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]mesodium;3-[(2Z)-2-[(2E)-2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]butylidene]benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonateHydrogen -1-(3-sulphonatopropyl)-2-(2-((1-(3-sulphonatopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)naphtho(1,2-d)thiazolium, sodium salt
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,190
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[2-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-1-buten-1-yl]-, inner salt, sodium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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