2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

Catalog No. :: ACOEAO699
CAS No. :: 2598349-79-0
Molecular Formula :: C38H45N3O11S2
Molecular Weight :: 783.92

IUPAC Name:(Z)-2-((2E,4E)-5-(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-1-(2-methoxyethyl)-3,3-dimethylindoline-5-sulfonate

2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate structure diagram

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Product Name	2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
IUPAC Name	(Z)-2-((2E,4E)-5-(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium-2-yl)penta-2,4-dien-1-ylidene)-1-(2-methoxyethyl)-3,3-dimethylindoline-5-sulfonate
Molecular Formula	C38H45N3O11S2
Molecular Weight	783.92
SMILES	C(CCCCC(ON1C(=O)CCC1=O)=O)N/2C=3C(C(C)(C)\C2=C/C=C/C=C/C4=[N+](CCOC)C=5C(C4(C)C)=CC(S(=O)(=O)[O-])=CC5)=CC(S(=O)(=O)O)=CC3
InChI Key	SPBJAWWMOQZNCF-UHFFFAOYSA-N
Synonym	3H-Indolium, 2-[(1E,3E,5E)-5-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-(2-methoxyethyl)-3,3-dimethyl-5-sulfo-, inner salt
CAS No.	2598349-79-0

Synthetic Route by SureRoute

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ACOEAO6992598349-79-0

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ACOEAO6992598349-79-0

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2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

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Synthetic Route by SureRoute

1. ACOEAO699 Molecular Building Block Synthetic Route

2. ACOEAO699 Molecular Building Block Synthetic Route

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2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

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Synthetic Route by SureRoute

Disodium mono(2-((1E,3E)-5-((E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate)

2-(7-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-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

2-(5-(1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

Triethylamine 2-(5-(1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

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