Products 1239619-02-3

CAS 1239619-02-3 is the registry number for Nizaracianine. Offered by: Chemat Brand. Available pack sizes: on request.

Nizaracianine
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

3-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]indol-1-ium-2-yl]ethenyl]-6-[(2Z)-2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]propanoate (CAS 1239619-02-3) is a chemical compound with the molecular formula C51H66N4O9S2 and a molecular weight of 943.2 g/mol. IUPAC name: 3-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]indol-1-ium-2-yl]ethenyl]-6-[(2Z)-2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]propanoate. InChIKey: YSBIMBNVFDDBKM-UHFFFAOYSA-N.

Identity
Molecular formulaC51H66N4O9S2
Molecular weight943.2 g/mol
IUPAC name3-[4-[(6E)-2-[(E)-2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]indol-1-ium-2-yl]ethenyl]-6-[(2Z)-2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]indol-2-ylidene]ethylidene]cyclohexen-1-yl]oxyphenyl]propanoate
InChIKeyYSBIMBNVFDDBKM-UHFFFAOYSA-N
SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3=C(/C(=C/C=C\4/C(C5=C(N4CCC[N+](C)(C)C)C=CC(=C5)S(=O)(=O)[O-])(C)C)/CCC3)OC6=CC=C(C=C6)CCC(=O)[O-])CCC[N+](C)(C)C)C

Computed by PubChem (NCBI)

Synonyms: Nizaracianine, Nizaracianine [INN]