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Product Overview

Product Code

TRC-C951310

CAS Number

146368-11-8

Product Format

Neat

Molecular Formula

C33 H40 N2 O8 S2

Molecular Weight

656.809

Product Categories

TRC, Stains & dyes

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate

CAS Number

146368-11-8

Molecular Formula

C33 H40 N2 O8 S2

Molecular Weight

656.809

Accurate Mass

656.223

SMILES

CC[N+]1=C(\C=C\C=C\C=C/2\N(CCCCCC(=O)O)c3ccc(cc3C2(C)C)S(=O)(=O)O)C(C)(C)c4cc(ccc14)S(=O)(=O)[O-]

InChI

InChI=1S/C33H40N2O8S2/c1-6-34-27-18-16-23(44(38,39)40)21-25(27)32(2,3)29(34)13-9-7-10-14-30-33(4,5)26-22-24(45(41,42)43)17-19-28(26)35(30)20-12-8-11-15-31(36)37/h7,9-10,13-14,16-19,21-22H,6,8,11-12,15,20H2,1-5H3,(H2-,36,37,38,39,40,41,42,43)

IUPAC

2-[(1E,3E,5E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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