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Details

Stereochemistry ACHIRAL
Molecular Formula C44H30Cl2N14O20S6
Molecular Weight 1338.087
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Reactive Red 120

SMILES

OC1=C(\N=N\C2=C(C=CC=C2)S(O)(=O)=O)C(=CC3=CC(=CC(NC4=NC(Cl)=NC(NC5=CC=C(NC6=NC(Cl)=NC(NC7=CC(=CC8=C7C(O)=C(\N=N\C9=C(C=CC=C9)S(O)(=O)=O)C(=C8)S(O)(=O)=O)S(O)(=O)=O)=N6)C=C5)=N4)=C13)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=OVSNDJXCFPSPDZ-YGZNCWGHSA-N
InChI=1S/C44H30Cl2N14O20S6/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56)/b59-57+,60-58+

HIDE SMILES / InChI

Molecular Formula C44H30Cl2N14O20S6
Molecular Weight 1338.087
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:12:48 GMT 2025
Edited
by admin
on Wed Apr 02 20:12:48 GMT 2025
Record UNII
X4P4DC9WH5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Reactive Red 120
Common Name English
2,7-Naphthalenedisulfonic acid, 4,4?-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-
Preferred Name English
4,4?-[1,4-Phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid]
Systematic Name English
Code System Code Type Description
FDA UNII
X4P4DC9WH5
Created by admin on Wed Apr 02 20:12:48 GMT 2025 , Edited by admin on Wed Apr 02 20:12:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID701335746
Created by admin on Wed Apr 02 20:12:48 GMT 2025 , Edited by admin on Wed Apr 02 20:12:48 GMT 2025
PRIMARY
CAS
61951-82-4
Created by admin on Wed Apr 02 20:12:48 GMT 2025 , Edited by admin on Wed Apr 02 20:12:48 GMT 2025
PRIMARY
PUBCHEM
73264
Created by admin on Wed Apr 02 20:12:48 GMT 2025 , Edited by admin on Wed Apr 02 20:12:48 GMT 2025
PRIMARY
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