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3-(2-{(1E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate

Catalog ID
STK396421
SMILES CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2)/C=c/1\sc2c(n1CC)cc(cc2)OC

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H30N2O4S3 MW 566.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4S3/c1-4-20(17-27-30(5-2)24-19-22(35-3)12-14-25(24)36-27)18-28-31(15-8-16-38(32,33)34)29-23-10-7-6-9-21(23)11-13-26(29)37-28/h6-7,9-14,17-19H,4-5,8,15-16H2,1-3H3
InChIKey
KXCGSQMCYUGTHP-UHFFFAOYSA-N
Synonyms
5153-82-2
3(2((1E)2((Z)(3ethyl5methoxy13benzothiazol2(3H)ylidene)methyl)but1en1yl)naphtho(12d)(13)thiazol1ium1yl)propane1sulfonate
3(2((1E)2ETHYL3(3ETHYL5METHOXY(3HYDROBENZOTHIAZOL2YLIDENE))PROP1ENYL)BENZO(E)BENZOTHIAZOLYL)PROPANESULFONICACID
3(2((E)2((E)(3ETHYL5METHOXY13BENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)BENZO(E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
3(2((E)2((Z)(3ETHYL5METHOXY13BENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)BENZO(E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
3(2((E)2((Z)(3ethyl5methoxybenzo(d)thiazol2(3H)ylidene)methyl)but1en1yl)naphtho(12d)thiazol1ium1yl)propane1sulfonate
3(2((Z)2((Z)(3ETHYL5METHOXY13BENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)BENZO(E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
3(2(2((3ETHYL5METHOXY13BENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)BENZO(E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
5153822
CCC(=CC1=(N+)(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)(O))C=C4N(C5=C(S4)C=CC(=C5)OC)CC
CCC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))c1ccccc1cc2)C=c1sc2c(n1CC)cc(cc2)OC
InChI=1SC29H30N2O4S3c1420(172730(52)241922(353)121425(24)3627)182831(1581638(3233)34)29231076921(23)111326(29)3728h679141719H4581516H213H3
MFCD00143040
ZINC000001803680
ZINC01803683

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Available files

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