3-Ethyl-2-[2-[[3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-5-Phenylbenzoxazolium
[CAS# 5529-89-5]

Identification

• Name: 3-Ethyl-2-[2-[[3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-5-Phenylbenzoxazolium
• Synonyms: 3-Ethyl-2-(2-((3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene)Methyl)But-1-Enyl)-5-Phenylbenzoxazolium
• Molecular Formula: C₃₀H₃₀N₂O₄S₂
• Molecular Weight: 546.70
• CAS Registry Number: 5529-89-5
• EINECS: 226-877-1
• SMILES: C2=C1[N+](=C(OC1=CC=C2C3=CC=CC=C3)C=C(C=C5SC4=CC=CC=C4N5CCC[S]([O-])(=O)=O)CC)CC
• InChI: 1S/C30H30N2O4S2/c1-3-22(20-30-32(17-10-18-38(33,34)35)25-13-8-9-14-28(25)37-30)19-29-31(4-2)26-21-24(15-16-27(26)36-29)23-11-6-5-7-12-23/h5-9,11-16,19-21H,3-4,10,17-18H2,1-2H3
• InChIKey: AXRIZLCXXQKAOQ-UHFFFAOYSA-N