4-(2-(7-(3-(6-(2-Isonicotinoylhydrazineyl)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

Catalog No. :: ACRQTN376
CAS No. :: 2268792-23-8
Molecular Formula :: C51H55N5O5S
Molecular Weight :: 850.10

IUPAC Name:4-((Z)-2-((2E,4E,6E)-7-(3-(6-(2-isonicotinoylhydrazineyl)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate

4-(2-(7-(3-(6-(2-Isonicotinoylhydrazineyl)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate structure diagram

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Product Name	4-(2-(7-(3-(6-(2-Isonicotinoylhydrazineyl)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
IUPAC Name	4-((Z)-2-((2E,4E,6E)-7-(3-(6-(2-isonicotinoylhydrazineyl)-6-oxohexyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-1,1-dimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
Molecular Formula	C51H55N5O5S
Molecular Weight	850.10
SMILES	O=S(CCCC[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(NNC(C3=CC=NC=C3)=O)=O)C4=C(C5=CC=CC=C5C=C4)C2(C)C)C(C)(C)C6=C1C=CC7=CC=CC=C67)([O-])=O
InChI Key	TZDFAMUAFIIACL-UHFFFAOYSA-N
Synonym	1H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-[6-oxo-6-[2-(4-pyridinylcarbonyl)hydrazinyl]hexyl]-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-3-(4-sulfobutyl)-, inner salt
CAS No.	2268792-23-8

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ACRQTN3762268792-23-8

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ACRQTN3762268792-23-8

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4-(2-(7-(3-(6-(2-Isonicotinoylhydrazineyl)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

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1. ACRQTN376 Molecular Building Block Synthetic Route

2. ACRQTN376 Molecular Building Block Synthetic Route

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4-(2-(7-(3-(6-(2-Isonicotinoylhydrazineyl)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

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Synthetic Route by SureRoute

4-(2-(7-(3-(6-((6-aminohexyl)amino)-6-oxohexyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

4-(2-(7-(1,1-dimethyl-3-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

4-(2-(7-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)hepta-1,3,5-trien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

4-(2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate

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