2-(2-Ethoxybut-1-Enyl)-5-Phenyl-3-(3-Sulphonatopropyl)Benzoxazolium
[CAS# 68025-27-4]

Identification

• Name: 2-(2-Ethoxybut-1-Enyl)-5-Phenyl-3-(3-Sulphonatopropyl)Benzoxazolium
• Synonyms: 3-[2-[(Z)-2-Ethoxybut-1-Enyl]-5-Phenyl-1,3-Benzoxazol-3-Ium-3-Yl]Propane-1-Sulfonate; 3-[2-[(E)-2-Ethoxybut-1-Enyl]-5-Phenyl-1,3-Benzoxazol-3-Ium-3-Yl]Propane-1-Sulfonate; Bas 00107545
• Molecular Formula: C₂₂H₂₅NO₅S
• Molecular Weight: 415.50
• CAS Registry Number: 68025-27-4
• EINECS: 268-185-2
• SMILES: C1=C(C=CC2=C1[N+](=C(C=C(OCC)CC)O2)CCC[S]([O-])(=O)=O)C3=CC=CC=C3
• InChI: 1S/C22H25NO5S/c1-3-19(27-4-2)16-22-23(13-8-14-29(24,25)26)20-15-18(11-12-21(20)28-22)17-9-6-5-7-10-17/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3
• InChIKey: HBFKQGKELXIJKJ-UHFFFAOYSA-N