3-Methyl-2-[(Z)-2-[(E)-(3-Methyl-5-Phenyl-1,3-Benzoxazol-2-Ylidene)Methyl]But-1-Enyl]-5-Phenyl-1,3-Benzoxazol-3-Ium Methyl Sulfate
[CAS# 33718-79-5]

Identification

• Name: 3-Methyl-2-[(Z)-2-[(E)-(3-Methyl-5-Phenyl-1,3-Benzoxazol-2-Ylidene)Methyl]But-1-Enyl]-5-Phenyl-1,3-Benzoxazol-3-Ium Methyl Sulfate
• Synonyms: 9-Ethyl-3,3'-Dimethyl-5,5'-Diphenyloxacarbocyanine, Methylsulfate; Benzoxazolium, 3-Methyl-2-(2-((3-Methyl-5-Phenyl-2(3H)-Benzoxazolylidene)Methyl)-1-Butenyl)-5-Phenyl-, Methyl Sulfate
• Molecular Formula: C₃₄H₃₂N₂O₆S
• Molecular Weight: 596.70
• CAS Registry Number: 33718-79-5
• EINECS: 251-653-5
• SMILES: CO[S]([O-])(=O)=O.C1=C(C=CC2=C1[N+](=C(O2)C=C(/C=C3/OC4=C(N3C)C=C(C=C4)C5=CC=CC=C5)CC)C)C6=CC=CC=C6
• InChI: 1S/C33H29N2O2.CH4O4S/c1-4-23(19-32-34(2)28-21-26(15-17-30(28)36-32)24-11-7-5-8-12-24)20-33-35(3)29-22-27(16-18-31(29)37-33)25-13-9-6-10-14-25;1-5-6(2,3)4/h5-22H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: RBEPIPBRHUKJDR-UHFFFAOYSA-M