DiSC18(3)

cas: 53533-50-9 — see every product listed under this CAS number, including other names

DiSC18(3) (CAS 53533-50-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas53533-50-9
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Structural formula: {0} (CAS {1})

(2Z)-3-octadecyl-2-[(E)-3-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole perchlorate (CAS 53533-50-9) is a chemical compound with the molecular formula C53H85ClN2O4S2 and a molecular weight of 913.8 g/mol. IUPAC name: (2Z)-3-octadecyl-2-[(E)-3-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole perchlorate. InChIKey: OPYVTERQQUMURQ-UHFFFAOYSA-M.

Identity
Molecular formulaC53H85ClN2O4S2
Molecular weight913.8 g/mol
IUPAC name(2Z)-3-octadecyl-2-[(E)-3-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole perchlorate
InChIKeyOPYVTERQQUMURQ-UHFFFAOYSA-M
SMILESCCCCCCCCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O

Computed by PubChem (NCBI)

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