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Details

Stereochemistry ACHIRAL
Molecular Formula C36H36Br2N2O8S2
Molecular Weight 848.618
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Acid Blue 140 Free Acid

SMILES

CCCCC1=CC(C)=C(NC2=CC=C(NC3=C(C)C=C(CCCC)C(=C3Br)S(O)(=O)=O)C4=C2C(=O)C5=C(C=CC=C5)C4=O)C(Br)=C1S(O)(=O)=O

InChI

InChIKey=KAYNNEWKTQZAQO-UHFFFAOYSA-N
InChI=1S/C36H36Br2N2O8S2/c1-5-7-11-21-17-19(3)31(29(37)35(21)49(43,44)45)39-25-15-16-26(28-27(25)33(41)23-13-9-10-14-24(23)34(28)42)40-32-20(4)18-22(12-8-6-2)36(30(32)38)50(46,47)48/h9-10,13-18,39-40H,5-8,11-12H2,1-4H3,(H,43,44,45)(H,46,47,48)

HIDE SMILES / InChI

Molecular Formula C36H36Br2N2O8S2
Molecular Weight 848.618
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:51:30 GMT 2023
Edited
by admin
on Sat Dec 16 19:51:30 GMT 2023
Record UNII
E6N7CV6SFY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Acid Blue 140 Free Acid
Common Name English
Benzenesulfonic acid, 3,3′-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2-bromo-6-butyl-4-methyl-
Systematic Name English
Code System Code Type Description
CAS
777803-74-4
Created by admin on Sat Dec 16 19:51:30 GMT 2023 , Edited by admin on Sat Dec 16 19:51:30 GMT 2023
PRIMARY
PUBCHEM
22956635
Created by admin on Sat Dec 16 19:51:30 GMT 2023 , Edited by admin on Sat Dec 16 19:51:30 GMT 2023
PRIMARY
FDA UNII
E6N7CV6SFY
Created by admin on Sat Dec 16 19:51:30 GMT 2023 , Edited by admin on Sat Dec 16 19:51:30 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT