2-[4-[(Acetyl)Phenylamino]-1,3-Butadienyl]-3-(3-Sulfonatopropyl)Benzoxazolium inner salt
[CAS# 71130-58-0]

Identification

• Name: 2-[4-[(Acetyl)Phenylamino]-1,3-Butadienyl]-3-(3-Sulfonatopropyl)Benzoxazolium inner salt
• Synonyms: 3-[2-[(1Z,3E)-4-(Acetyl-Phenylamino)Buta-1,3-Dienyl]-1,3-Benzoxazol-3-Ium-3-Yl]Propane-1-Sulfonate; 3-[2-[(1E,3E)-4-(Acetyl-Phenylamino)Buta-1,3-Dienyl]-1,3-Benzoxazol-3-Ium-3-Yl]Propane-1-Sulfonate; 3-[2-[4-(Acetyl-Phenyl-Amino)Buta-1,3-Dienyl]-1,3-Benzoxazol-3-Ium-3-Yl]Propane-1-Sulfonate
• Molecular Formula: C₂₂H₂₂N₂O₅S
• Molecular Weight: 426.49
• CAS Registry Number: 71130-58-0
• SMILES: C1=CC=CC2=C1[N+](=C(O2)C=CC=CN(C3=CC=CC=C3)C(=O)C)CCC[S]([O-])(=O)=O
• InChI: 1S/C22H22N2O5S/c1-18(25)23(19-10-3-2-4-11-19)15-8-7-14-22-24(16-9-17-30(26,27)28)20-12-5-6-13-21(20)29-22/h2-8,10-15H,9,16-17H2,1H3
• InChIKey: LDBUAAMQOTVEFO-UHFFFAOYSA-N