Analyte Name

4-Bromo-5-pentadecylbenzene-1,3-diol

Molecular Formula

C16 H16 O8 . C6 H14 N

Molecular Weight

436.476

Accurate Mass

436.197

SMILES

CC1=CC(=O)Oc2cc(O[C@@H]3OC(C=O)[C@H](O)C(O)C3O)ccc12.[NH3+]C4CCCCC4

InChI

InChI=1S/C16H16O8.C6H13N/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16;7-6-4-2-1-3-5-6/h2-6,11,13-16,19-21H,1H3;6H,1-5,7H2/p+1/t11?,13-,14?,15?,16+;/m0./s1

IUPAC

cyclohexylazanium;(3R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carbaldehyde

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat