4-[2-[2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]butane-1-sulfonate
[CAS# 94213-13-5]

Identification

• Name: 4-[2-[2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]butane-1-sulfonate
• Synonyms: 2-[2-[[5,6-dimethyl-3-(4-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]-1-butenyl]-1-ethylnaphtho[1,2-d]thiazolium
• Molecular Formula: C₃₁H₃₄N₂O₃S₂Se
• Molecular Weight: 625.70
• CAS Registry Number: 94213-13-5
• EINECS: 303-714-3
• SMILES: CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CCCCS([O-])(=O)=O
• InChI: 1S/C31H34N2O3S2Se/c1-5-23(19-29-32(6-2)31-25-12-8-7-11-24(25)13-14-27(31)37-29)20-30-33(15-9-10-16-38(34,35)36)26-17-21(3)22(4)18-28(26)39-30/h7-8,11-14,17-20H,5-6,9-10,15-16H2,1-4H3
• InChIKey: OYHMPSMCWKGNQK-UHFFFAOYSA-N