Sodium 2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)-2-(4-sulfonatophenoxy)cyclohex-1-en-1-yl)vinyl)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate, 98%, 98%

cas: 956579-01-4 — see every product listed under this CAS number, including other names

Sodium 2-(2-(3-(2-(3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indolin-2-ylidene)ethylidene)-2-(4-sulfonatophenoxy)cyclohex-1-en-1-yl)vinyl)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate, 98%, 98% (CAS 956579-01-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg. Offered by: Chemat.

• 2D
• 3D

Trisodium;(2Z)-2-[(2Z)-2-[3-[(Z)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate (CAS 956579-01-4) is a chemical compound with the molecular formula C50H54N3Na3O17S4 and a molecular weight of 1166.2 g/mol. IUPAC name: trisodium;(2Z)-2-[(2Z)-2-[3-[(Z)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate. InChIKey: PBPMREYPAOZRBU-UHFFFAOYSA-K.

Identity

Molecular formula	C50H54N3Na3O17S4
Molecular weight	1166.2 g/mol
IUPAC name	trisodium;(2Z)-2-[(2Z)-2-[3-[(Z)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate
InChIKey	PBPMREYPAOZRBU-UHFFFAOYSA-K
SMILES	CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C\C3=C(/C(=C\C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)/CCC3)OC6=CC=C(C=C6)S(=O)(=O)[O-])CCCCCC(=O)ON7C(=O)CCC7=O)C.[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: 800CW NHS ester