3-[6-methoxy-5-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylsulfanyl-prop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate
[CAS# 94166-40-2]

Identification

• Name: 3-[6-methoxy-5-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylsulfanyl-prop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate
• Synonyms: 2-[3-[6-methoxy-5-methyl-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]-2-(methylthio)-1-propenyl]-1-methylnaphtho[1,2-d]thiazolium
• Molecular Formula: C₂₈H₂₈N₂O₄S₃Se
• Molecular Weight: 631.69
• CAS Registry Number: 94166-40-2
• EINECS: 303-336-9
• SMILES: C[n+]3c4c5ccccc5ccc4sc3C=C(SC)C=C2[Se]c1cc(OC)c(C)cc1N2CCCS([O-])(=O)=O
• InChI: 1S/C28H28N2O4S3Se/c1-18-14-22-25(17-23(18)34-3)38-27(30(22)12-7-13-37(31,32)33)16-20(35-4)15-26-29(2)28-21-9-6-5-8-19(21)10-11-24(28)36-26/h5-6,8-11,14-17H,7,12-13H2,1-4H3
• InChIKey: YIXGGWUUBQQLFX-UHFFFAOYSA-N