Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, inner salt

Base Information

• Chemical Name: Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, inner salt
• CAS No.: 68072-54-8
• Molecular Formula: C26H28Cl2N4O4S
• Molecular Weight: 563.4959
• European Community (EC) Number: 268-348-8
• Mol file: 68072-54-8.mol

Synonyms:EINECS 268-348-8;1-Ethyl-2-(3-(3-ethyl-5,6-dimethylbenzoxazolinylidene)-2-propenyl)-3-((N-(methylsulfonylcarbamyl)methyl)-5,6-dichlorobenzimidazolium betaine;Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-5,6-dimethyl-, inner salt;C26H28Cl2N4O4S;C26-H28-Cl2-N4-O4-S;68072-54-8;Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, inner salt;2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-(mesylamino)-2-oxoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5,6-dimethylbenzoxazolium--ate;Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5,6-dimethyl-, hydroxide, inner salt;Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5,6-dimethyl-, inner salt;2-(3-(5,6-Dichloro-1-ethyl-1,3-dihydro-3-(2-(mesylamino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)prop-1-enyl)-3-ethyl-5,6-dimethylbenzoxazolium ateC26H28Cl2N4O4S

Chemical Property of Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 562.1208319
• Heavy Atom Count: 37
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(O3)C=C(C(=C4)C)C)CC)CC(=NS(=O)(=O)C)[O-])Cl)Cl
• Isomeric SMILES: CCN\1C2=CC(=C(C=C2N(/C1=C/C=C/C3=[N+](C4=C(O3)C=C(C(=C4)C)C)CC)C/C(=N\S(=O)(=O)C)/[O-])Cl)Cl