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Product Overview

Product Code

TRC-A726495

Product Format

Neat

Molecular Formula

C15H9O8S . C16H36N

Molecular Weight

591.75

Product Categories

TRC

Alternate CAS Number

56857-56-8 free acid

Documentation

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Product Information

Chemical Data

Analyte Name

Apigenin 7-Sulfate-O-N,N,N-tributyl-1-butanaminium

Molecular Formula

C15H9O8S . C16H36N

Molecular Weight

591.75

Accurate Mass

591.28

SMILES

OC1=CC=C(C2=CC(C(C(O)=CC(OS(=O)([O-])=O)=C3)=C3O2)=O)C=C1.CCCC[N+](CCCC)(CCCC)CCCC

InChI

InChI=1S/C16H36N.C15H10O8S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h5-16H2,1-4H3;1-7,16-17H,(H,19,20,21)/q+1;/p-1

IUPAC

5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl sulfate N,N,N-tributyl-1-butanaminium

Alternate CAS Number

56857-56-8 free acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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