Molecular Structure of 3-Ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)-2-methylprop-1-enyl]benzoselenazolium bromide (CAS No.24687-31-8):
Molecular Formula: C22H23N2Se2.Br
Molecular Weight: 553.2554
CAS No: 24687-31-8
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 7.12 Å2
IUPAC Name: 3-Ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzoselenazole bromide
InChI: InChI=1/C22H23N2Se2.BrH/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey: PVWAVYOMICTLJJ-REWHXWOFAE
Std. InChI: InChI=1S/C22H23N2Se2.BrH/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
Std. InChIKey: PVWAVYOMICTLJJ-UHFFFAOYSA-M
3-Ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)-2-methylprop-1-enyl]benzoselenazolium bromide (CAS No.24687-31-8), its synonyms are 3-Ethyl-2-[3-(3-ethyl-1,3-benzoselenazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzoselenazol-3-ium bromide ; Benzoselenazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzoselenazolylidene)-2-methyl-1-propen-1-yl]-, bromide (1:1) .
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