2-(3-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

Catalog No. :: ACFJPV681
CAS No. :: 1657076-80-6
Molecular Formula :: C36H42N4O9S2
Molecular Weight :: 738.89

IUPAC Name:2-((E)-3-((Z)-1-(6-((2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

2-(3-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate structure diagram

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Product Name	2-(3-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
IUPAC Name	2-((E)-3-((Z)-1-(6-((2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
Molecular Formula	C36H42N4O9S2
Molecular Weight	738.89
SMILES	O=S(C1=CC2=C([N+](C)=C(C=CC=C3N(CCCCCC(NCCN4C(C=CC4=O)=O)=O)C5=C(C=C(S(=O)(O)=O)C=C5)C3(C)C)C2(C)C)C=C1)([O-])=O
InChI Key	LOVTXMZOYVAEPC-UHFFFAOYSA-N
Synonym	3H-Indolium, 2-[3-[1-[6-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-1,3,3-trimethyl-5-sulfo-, inner salt
CAS No.	1657076-80-6

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ACFJPV6811657076-80-6

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ACFJPV6811657076-80-6

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2-(3-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

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Synthetic Route by SureRoute

1. ACFJPV681 Molecular Building Block Synthetic Route

2. ACFJPV681 Molecular Building Block Synthetic Route

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2-(3-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

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Synthetic Route by SureRoute

Potassium 2-(3-(1-(6-((2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

Potassium 2-(5-(1-(6-((2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate

2-(3-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)prop-1-en-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

2-(7-(1-(6-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)amino)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

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