Benzothiazolium, 2,2′-[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl-1(4H)-pyridinyl-4-ylidenemethylidyne]]bis[3-methyl-, iodide (1:4)
CAS Registry Number®
169454-13-1
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CAS Name
Benzothiazolium, 2,2′-[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl-1(4H)-pyridinyl-4-ylidenemethylidyne]]bis[3-methyl-, iodide (1:4)Molecular Formula
C41H54N6S2.4ICite this Page
Benzothiazolium, 2,2′-[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl-1(4H)-pyridinyl-4-ylidenemethylidyne]]bis[3-methyl-, iodide (1:4). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=169454-13-1 (retrieved ) (CAS RN: 169454-13-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C41H54N6S2.4HI/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41;;;;/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3;4*1H/q+4;;;;/p-4
InChIKey
InChIKey=TYBKADJAOBUHAD-UHFFFAOYSA-J
SMILES
C[N+]=1C=2C(SC1C=C3C=CN(CCC[N+](CCC[N+](CCCN4C=CC(=CC=5SC=6C([N+]5C)=CC=CC6)C=C4)(C)C)(C)C)C=C3)=CC=CC2.[I-]
Canonical SMILES
[I-].S1C=2C=CC=CC2[N+](=C1C=C3C=CN(C=C3)CCC[N+](C)(C)CCC[N+](C)(C)CCCN4C=CC(C=C4)=CC=5SC=6C=CC=CC6[N+]5C)C
Other Names for this Substance
- Benzothiazolium, 2,2′-[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl-1(4H)-pyridinyl-4-ylidenemethylidyne]]bis[3-methyl-, iodide (1:4)
- Benzothiazolium, 2,2′-[1,3-propanediylbis[(dimethyliminio)-3,1-propanediyl-1(4H)-pyridinyl-4-ylidenemethylidyne]]bis[3-methyl-, tetraiodide
- BOBO 1