Products 2140857-94-7

CAS 2140857-94-7 is the registry number for Filricianine. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

3-[3-(3-carboxypropyl)-2-[2-[3-[2-[3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]ethenyl]-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3-methylindol-1-yl]propane-1-sulfonate (CAS 2140857-94-7) is a chemical compound with the molecular formula C45H52N2O12S3 and a molecular weight of 909.1 g/mol. IUPAC name: 3-[3-(3-carboxypropyl)-2-[2-[3-[2-[3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]ethenyl]-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3-methylindol-1-yl]propane-1-sulfonate. InChIKey: OGIBAYOMUKQFLE-UHFFFAOYSA-N.

Identity
Molecular formulaC45H52N2O12S3
Molecular weight909.1 g/mol
IUPAC name3-[3-(3-carboxypropyl)-2-[2-[3-[2-[3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]ethenyl]-2-(4-sulfophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3-methylindol-1-yl]propane-1-sulfonate
InChIKeyOGIBAYOMUKQFLE-UHFFFAOYSA-N
SMILESCC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCS(=O)(=O)[O-])(C)CCCC(=O)O)CCC3)OC6=CC=C(C=C6)S(=O)(=O)O)CCCS(=O)(=O)O)C

Computed by PubChem (NCBI)