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3-[(2E)-2-{(2Z)-2-methyl-3-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate

Catalog ID
STK374795
SMILES C/C(=C/c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/C=c\1/sc2c(n1CCCS(=O)(=O)[O-])cccc2

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H25N2O6S4 MW 565.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O6S4/c1-18(16-23-25(12-6-14-35(27,28)29)19-8-2-4-10-21(19)33-23)17-24-26(13-7-15-36(30,31)32)20-9-3-5-11-22(20)34-24/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32)/p-1
InChIKey
UWKASGMADAVFBW-UHFFFAOYSA-M
Synonyms

3((2E)2((2Z)2methyl3(3(3sulfonatopropyl)13benzothiazol3ium2yl)prop2en1ylidene)13benzothiazol3(2H)yl)propane1sulfonate
3((2E)2((Z)2METHYL3(3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3((2Z)2((2Z)2METHYL3(3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2EN1YLIDENE)13BENZOTHIAZOL3(2H)YL)PROPANE1SULFONATE
3((2Z)2((E)2METHYL3(3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3((2Z)2((Z)2METHYL3(3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3(2(2METHYL3(3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
CC(=CC1=(N+)(C2=CC=CC=C2S1)CCCS(=O)(=O)(O))C=C3N(C4=CC=CC=C4S3)CCCS(=O)(=O)(O)
CC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))cccc2)C=c1sc2c(n1CCCS(=O)(=O)(O))cccc2
InChI=1SC24H26N2O6S4c118(162325(1261435(2728)29)198241021(19)3323)172426(1371536(3031)32)209351122(20)3424h258111617H671215H21H3(H272829303132)p1
ZINC000001861348
ZINC01861348
ZINC01861351

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Available files

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