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Product Overview

Product Code

TRC-B316553

CAS Number

1694-09-3

Product Format

Neat

Molecular Formula

C39 H40 N3 O6 S2 . Na

Molecular Weight

733.87

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Stains & dyes

Product Type

Contaminant

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Product Information

Chemical Data

Analyte Name

Acid Violet 49

CAS Number

1694-09-3

Molecular Formula

C39 H40 N3 O6 S2 . Na

Molecular Weight

733.87

Accurate Mass

733.2256

SMILES

[Na+].CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccc(cc5)N(C)C

InChI

InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1

IUPAC

sodium;3-[[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Benzyl Violet (Technical Grade)

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