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N,N-diethylethanaminium 3-[(2Z)-2-{(2E)-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
STL412482
SMILES C/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/C=c/1\sc2c(n1CCCS(=O)(=O)[O-])cccc2.CC[NH+](CC)CC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C30H41N3O6S4 MW 667.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O6S4.C6H15N/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;1-4-7(5-2)6-3/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32);4-6H2,1-3H3
InChIKey
PUPSWTJBTQACDC-UHFFFAOYSA-N
Synonyms
68239-10-1
2(2METHYL3(3(3SULFOPROPYL)13BENZOTHIAZOL2YLIDENE)PROP1EN1YL)3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUMTRIETHYLAMINE
3(2(2methyl3(3(3sulfonatopropyl)13benzothiazol3ium2yl)prop2enylidene)13benzothiazol3yl)propane1sulfonatetriethylazanium
68239101
BENZOTHIAZOLIUM2(2METHYL3(3(3SULFOPROPYL)2(3H)BENZOTHIAZOLYLIDENE)1PROPEN1YL)3(3SULFOPROPYL)INNERSALTCOMPDWITHNNDIETHYLETHANAMINE(11)
BENZOTHIAZOLIUM2(2METHYL3(3(3SULFOPROPYL)2(3H)BENZOTHIAZOLYLIDENE)1PROPENYL)3(3SULFOPROPYL)INNERSALTCOMPDWITHNNDIETHYLETHANAMINE(11)
BENZOTHIAZOLIUM2(2METHYL3(3(3SULFOPROPYL)2BENZOTHIAZOLINYLIDENE)1PROPENYL)3(3SULFOPROPYL)HYDROXIDEINNERSALTCOMPDWITHTRIETHYLAMINE(11)
CC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))cccc2)C=c1sc2c(n1CCCS(=O)(=O)(O))cccc2CC(NH+)(CC)CC
CC(NH+)(CC)CCCC(=CC1=(N+)(C2=CC=CC=C2S1)CCCS(=O)(=O)(O))C=C3N(C4=CC=CC=C4S3)CCCS(=O)(=O)(O)
HYDROGEN2(2METHYL3(3(3SULPHONATOPROPYL)BENZOTHIAZOL2(3H)YLIDENE)PROP1ENYL)3(3SULPHONATOPROPYL)BENZOTHIAZOLIUMCOMPOUNDWITHTRIETHYLAMINE(11)
InChI=1SC24H26N2O6S4C6H15Nc118(162325(1261435(2728)29)198241021(19)3323)172426(1371536(3031)32)209351122(20)3424147(52)63h258111617H671215H21H3(H272829303132)46H213H3
MFCD30706809
NNDIETHYLETHANAMINE3((2Z)2((E)2METHYL3(3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
NNdiethylethanaminium3((2Z)2((2E)2methyl3(3(3sulfonatopropyl)13benzothiazol3ium2yl)prop2en1ylidene)13benzothiazol3(2H)yl)propane1sulfonate
triethylammonium3(2((1E3Z)2methyl3(3(3sulfonatopropyl)benzo(d)thiazol2(3H)ylidene)prop1en1yl)benzo(d)thiazol3ium3yl)propane1sulfonate

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Available files

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