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Product Overview

Product Code

TRC-A187940

CAS Number

63450-66-8

Product Format

Neat

Molecular Formula

C32 H34 N2 O4 S

Molecular Weight

542.69

Product Categories

TRC

Product Type

Other

Documentation

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Product Information

Chemical Data

Analyte Name

2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H-benz[e]indolium Inner Salt

CAS Number

63450-66-8

Molecular Formula

C32 H34 N2 O4 S

Molecular Weight

542.69

Accurate Mass

542.2239

SMILES

CC(=O)N(\C=C\C=C\C=C\C1=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c2C1(C)C)c4ccccc4

InChI

InChI=1S/C32H34N2O4S/c1-25(35)33(27-16-7-6-8-17-27)22-12-5-4-9-19-30-32(2,3)31-28-18-11-10-15-26(28)20-21-29(31)34(30)23-13-14-24-39(36,37)38/h4-12,15-22H,13-14,23-24H2,1-3H3

IUPAC

4-[2-[(1E,3E,5E)-6-(N-acetylanilino)hexa-1,3,5-trienyl]-1,1-dimethyl-benzo[e]indol-3-ium-3-yl]butane-1-sulfonate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H-benz[e]indolium Inner Salt

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