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3-{2-[(1E)-2-{(E)-[1-(3-sulfopropyl)naphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]methyl}but-1-en-1-yl]thieno[3,2-e][1,3]benzothiazol-1-ium-1-yl}propane-1-sulfonate

Catalog ID
STK381462
SMILES CC/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccsc1cc2)/C=c\1/sc2c(n1CCCS(=O)(=O)O)c1ccccc1cc2

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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 C31H30N2O6S5 MW 686.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O6S5/c1-2-21(20-29-33(15-6-18-44(37,38)39)31-24-13-16-40-25(24)11-12-27(31)42-29)19-28-32(14-5-17-43(34,35)36)30-23-8-4-3-7-22(23)9-10-26(30)41-28/h3-4,7-13,16,19-20H,2,5-6,14-15,17-18H2,1H3,(H-,34,35,36,37,38,39)
InChIKey
XTSZACALKVLABM-UHFFFAOYSA-N
Synonyms

3((2Z)2((2E)2((1(3SULFOPROPYL)THIENO(32E)(13)BENZOTHIAZOL1IUM2YL)METHYLIDENE)BUTYLIDENE)BENZO(E)(13)BENZOTHIAZOL1YL)PROPANE1SULFONATE
3(2((1E)2((E)(1(3sulfopropyl)naphtho(12d)(13)thiazol2(1H)ylidene)methyl)but1en1yl)thieno(32e)(13)benzothiazol1ium1yl)propane1sulfonate
3(2((E)2((E)(1(3sulfopropyl)benzo(e)(13)benzothiazol2ylidene)methyl)but1enyl)thieno(32e)(13)benzothiazol1ium1yl)propane1sulfonate
3(2((E)2((Z)(1(3SULFOPROPYL)BENZO(E)(13)BENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)THIENO(32E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
3(2(2((1(3SULFOPROPYL)BENZO(E)(13)BENZOTHIAZOL2YLIDENE)METHYL)BUT1ENYL)THIENO(32E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
3(2(2((1(3SULFOPROPYL)THIENO(32E)(13)BENZOTHIAZOL1IUM2YL)METHYLIDENE)BUTYLIDENE)BENZO(E)(13)BENZOTHIAZOL1YL)PROPANE1SULFONATE
CCC(=CC1=(N+)(C2=C(S1)C=CC3=C2C=CS3)CCCS(=O)(=O)(O))C=C4N(C5=C(S4)C=CC6=CC=CC=C65)CCCS(=O)(=O)O
CCC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))c1ccsc1cc2)C=c1sc2c(n1CCCS(=O)(=O)O)c1ccccc1cc2
InChI=1SC31H30N2O6S5c1221(202933(1561844(3738)39)312413164025(24)111227(31)4229)192832(1451743(3435)36)3023843722(23)91026(30)4128h34713161920H25614151718H21H3(H343536373839)
MFCD11853205
ZINC000004782678

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Available files

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