NIR–797–isothiocyanat

cas: 152111-91-6 — see every product listed under this CAS number, including other names

NIR–797–isothiocyanat (CAS 152111-91-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGD18319-10
cas152111-91-6
size10mg
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Available pack sizes

brand size price
GLPBio 10mg 1678.24 Pln
GLPBio 25mg 2941.97 Pln
GLPBio 5mg 1214.87 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Sodium 4-[(2E)-2-[(2E)-2-[3-[(E)-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 152111-91-6) is a chemical compound with the molecular formula C45H50N3NaO6S4 and a molecular weight of 880.2 g/mol. IUPAC name: sodium 4-[(2E)-2-[(2E)-2-[3-[(E)-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. InChIKey: URQBXUCJHTXMKS-UHFFFAOYSA-M.

Identity
Molecular formulaC45H50N3NaO6S4
Molecular weight880.2 g/mol
IUPAC namesodium 4-[(2E)-2-[(2E)-2-[3-[(E)-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
InChIKeyURQBXUCJHTXMKS-UHFFFAOYSA-M
SMILESCC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)/CCC3)SC6=CC=C(C=C6)N=C=S)CCCCS(=O)(=O)[O-])C.[Na+]

Computed by PubChem (NCBI)

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