Analyte Name

8-Dodecanoyloxypyrene-1,3,6-trisulfonic Acid Trisodium Salt

CAS Number

115787-85-4

Molecular Formula

C28H32O11S3 • 3Na

Molecular Weight

709.71

Accurate Mass

709.08

SMILES

O=S(C1=C(C=C2)C3=C4C2=C(C=C(C4=CC=C3C(S(=O)(O)=O)=C1)S(=O)(O)=O)OC(CCCCCCCCCCC)=O)(O)=O.[Na].[Na].[Na]

InChI

InChI=1S/C28H32O11S3.3Na/c1-2-3-4-5-6-7-8-9-10-11-26(29)39-22-16-23(40(30,31)32)19-14-15-21-25(42(36,37)38)17-24(41(33,34)35)20-13-12-18(22)27(19)28(20)21;;;/h12-17H,2-11H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;

IUPAC

8-(dodecanoyloxy)pyrene-1,3,6-trisulfonic acid, trisodium salt

Alternate CAS Number

Free acid: 211875-18-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat