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Sodium,4-[2-[2-[3-[2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate

(The order shall be subject to the English name)

English alias:NIR-797 isothiocyanate; NIR-797-isothiocyanat;
CAS:152111-91-6 Molecular formula:C₄₅H₅₀N₃NaO₆S₄ Molecular weight:880.15

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Name:
Sodium,4-[2-[2-[3-[2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(4-isothiocyanatophenyl)sulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
CAS No.:
152111-91-6
Molecular formula:
C₄₅H₅₀N₃NaO₆S₄
Molecular weight:
880.15
InChIKey:
URQBXUCJHTXMKS-UHFFFAOYSA-M
InChI:
InChI=1S/C45H51N3O6S4.Na/c1-44(2)37-16-5-7-18-39(37)47(28-9-11-30-57(49,50)51)41(44)26-20-33-14-13-15-34(43(33)56-36-24-22-35(23-25-36)46-32-55)21-27-42-45(3,4)38-17-6-8-19-40(38)48(42)29-10-12-31-58(52,53)54;/h5-8,16-27H,9-15,28-31H2,1-4H3,(H-,49,50,51,52,53,54);/q;+1/p-1
Pubchem ID:
WGK Germany:
3
SafetyInstructions:
S22; S24/25
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