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Details

Stereochemistry ACHIRAL
Molecular Formula C27H32N2O7S2
Molecular Weight 560.682
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PATENT BLUE V FREE ACID

SMILES

CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C(C=C(C(O)=C3)S(O)(=O)=O)S([O-])(=O)=O

InChI

InChIKey=DHAHKSQXIXFZJB-UHFFFAOYSA-N
InChI=1S/C27H32N2O7S2/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36)

HIDE SMILES / InChI

Molecular Formula C27H32N2O7S2
Molecular Weight 560.682
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Patent Blue V (E-131) is a synthetic dye used as a food coloring. In Europe, it is used in beverages, preserves of red fruits, desserts, confectionary. In medicine, Patent Blue V is used as a contrast agent for visualizing lymphatic vessels. Patent Blue V is also used in dentistry in a disclosing tablet to demonstrate the presence of plaque on teeth.

Approval Year

Substance Class Chemical
Record UNII
D4RJJ6R97N
Record Status Validated (UNII)
Record Version