A 2E Trifluoroacetic Acid Salt

cas: 1821308-73-9 — see every product listed under this CAS number, including other names

A 2E Trifluoroacetic Acid Salt (CAS 1821308-73-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: TRC.

brandTRC
catalog numberTRC-A173440-1MG
cas1821308-73-9
size1mg
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Structural formula: {0} (CAS {1})

2-[2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol;2,2,2-trifluoroacetate (CAS 1821308-73-9) is a chemical compound with the molecular formula C44H58F3NO3 and a molecular weight of 705.9 g/mol. IUPAC name: 2-[2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol;2,2,2-trifluoroacetate. InChIKey: ZFPRGIJSRMWZMS-KFKWWMHDSA-M.

Identity
Molecular formulaC44H58F3NO3
Molecular weight705.9 g/mol
IUPAC name2-[2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethanol;2,2,2-trifluoroacetate
InChIKeyZFPRGIJSRMWZMS-KFKWWMHDSA-M
SMILESCC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C2=CC(=[N+](C=C2)CCO)/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)/C.C(=O)(C(F)(F)F)[O-]

Computed by PubChem (NCBI)

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