5-Chloro-2-(2-[(5-Chloro-3-(4-Sulfobutyl)-2(3H)- Benzoxazolylidene)Methyl]-1-Butenyl)-3-(4-Sulfobutyl)-Benzoxazolium Hydroxide, Inner Salt Triethylamin E Salt
[CAS# 92771-38-5]

Identification

• Name: 5-Chloro-2-(2-[(5-Chloro-3-(4-Sulfobutyl)-2(3H)- Benzoxazolylidene)Methyl]-1-Butenyl)-3-(4-Sulfobutyl)-Benzoxazolium Hydroxide, Inner Salt Triethylamin E Salt
• Synonyms: 4-[5-Chloro-2-[(Z)-2-[(Z)-[5-Chloro-3-(4-Sulfobutyl)-1,3-Benzoxazol-2-Ylidene]Methyl]But-1-Enyl]-1,3-Benzoxazol-3-Ium-3-Yl]Butane-1-Sulfonate; N,N-Diethylethanamine; 4-[5-Chloro-2-[(E)-2-[(Z)-[5-Chloro-3-(4-Sulfobutyl)-1,3-Benzoxazol-2-Ylidene]Methyl]But-1
• Molecular Formula: C₃₃H₄₅Cl₂N₃O₈S₂
• Molecular Weight: 746.76
• CAS Registry Number: 92771-38-5
• EINECS: 296-554-8
• SMILES: C1=C(Cl)C=CC2=C1N(C(O2)=CC(=CC3=[N+](C4=C(O3)C=CC(=C4)Cl)CCCC[S](=O)(=O)[O-])CC)CCCC[S](O)(=O)=O.C(N(CC)CC)C
• InChI: 1S/C27H30Cl2N2O8S2.C6H15N/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;1-4-7(5-2)6-3/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3
• InChIKey: WBEYWDOEKGGXFF-UHFFFAOYSA-N