A 2E Trifluoroacetic Acid Salt

Analyte Name

A 2E Trifluoroacetic Acid Salt

CAS Number

1821308-73-9

Molecular Formula

C42H58NO.C2HF3O2

Molecular Weight

706.95

Accurate Mass

706.44

SMILES

CC(CCCC1(C)C)=C1/C=C/C(C)=C/C=C/C(C)=C/C2=CC(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)=CC=[N+]2CCO.O=C(O)C(F)(F)F

InChI

InChI=1S/C42H58NO.C2HF3O2/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9;3-2(4,5)1(6)7/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3;(H,6,7)/q+1;/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+;

IUPAC

2,2,2-trifluoroacetic acid, 2-((1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl)-1-(2-hydroxyethyl)-4-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)pyridin-1-ium salt

Alternate CAS Number

173449-96-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat