2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H-benz[e]indolium Inner Salt
Product Code
TRC-A187940
CAS Number
Product Format
Neat
Molecular Formula
C32 H34 N2 O4 S
Molecular Weight
542.69
Product Categories
Product Type
OtherHPLC Purity
>95%
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
HPLC Purity
>95%
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