4-[2-[(E)-2-[(Z)-(3-Methyl-5-Phenyl-1,3-Benzoxazol-2-Ylidene)Methyl]But-1-Enyl]-1,3-Benzoselenazol-3-Ium-3-Yl]Butane-2-Sulfonate
[CAS# 76213-48-4]

Identification

• Name: 4-[2-[(E)-2-[(Z)-(3-Methyl-5-Phenyl-1,3-Benzoxazol-2-Ylidene)Methyl]But-1-Enyl]-1,3-Benzoselenazol-3-Ium-3-Yl]Butane-2-Sulfonate
• Synonyms: 3-Methyl-5-Phenyl-2-(2-((3-(3-Sulphonatobutyl)-3H-Benzoselenazol-2-Ylidene)Methyl)But-1-Enyl)Benzoxazolium; Benzoxazolium, 3-Methyl-5-Phenyl-2-(2-((3-(3-Sulfobutyl)-2(3H)-Benzoselenazolylidene)Methyl)-1-Butenyl)-, Inner Salt
• Molecular Formula: C₃₀H₃₀N₂O₄SSe
• Molecular Weight: 593.60
• CAS Registry Number: 76213-48-4
• EINECS: 278-389-3
• SMILES: C2=C1[N+](=C(OC1=CC=C2C3=CC=CC=C3)C=C(C=C5[Se]C4=CC=CC=C4N5CCC([S]([O-])(=O)=O)C)CC)C
• InChI: 1S/C30H30N2O4SSe/c1-4-22(18-29-31(3)26-20-24(14-15-27(26)36-29)23-10-6-5-7-11-23)19-30-32(17-16-21(2)37(33,34)35)25-12-8-9-13-28(25)38-30/h5-15,18-21H,4,16-17H2,1-3H3
• InChIKey: QDAWKUJXWZSGKT-UHFFFAOYSA-N