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Details

Stereochemistry ACHIRAL
Molecular Formula C24H16ClN3O7S3
Molecular Weight 590.048
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIRECT RED 20 FREE ACID

SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)\N=N\C4=C(O)C5=C(Cl)C=C(C=C5C=C4S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=PPLAVEDSTMYVTD-BYYHNAKLSA-N
InChI=1S/C24H16ClN3O7S3/c1-12-2-7-18-19(8-12)36-24(26-18)13-3-5-15(6-4-13)27-28-22-20(38(33,34)35)10-14-9-16(37(30,31)32)11-17(25)21(14)23(22)29/h2-11,29H,1H3,(H,30,31,32)(H,33,34,35)/b28-27+

HIDE SMILES / InChI

Molecular Formula C24H16ClN3O7S3
Molecular Weight 590.048
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:50:18 GMT 2023
Edited
by admin
on Sat Dec 16 10:50:18 GMT 2023
Record UNII
A49650GKEC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIRECT RED 20 FREE ACID
Common Name English
C.I. DIRECT RED 20 FREE ACID
Common Name English
2,7-NAPHTHALENEDISULFONIC ACID, 5-CHLORO-4-HYDROXY-3-((4-(6-METHYL-2-BENZOTHIAZOLYL)PHENYL)AZO)-
Systematic Name English
2,7-NAPHTHALENEDISULFONIC ACID, 5-CHLORO-4-HYDROXY-3-(2-(4-(6-METHYL-2-BENZOTHIAZOLYL)PHENYL)DIAZENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6177146
Created by admin on Sat Dec 16 10:50:18 GMT 2023 , Edited by admin on Sat Dec 16 10:50:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID801113224
Created by admin on Sat Dec 16 10:50:18 GMT 2023 , Edited by admin on Sat Dec 16 10:50:18 GMT 2023
PRIMARY
FDA UNII
A49650GKEC
Created by admin on Sat Dec 16 10:50:18 GMT 2023 , Edited by admin on Sat Dec 16 10:50:18 GMT 2023
PRIMARY
CAS
25188-33-4
Created by admin on Sat Dec 16 10:50:18 GMT 2023 , Edited by admin on Sat Dec 16 10:50:18 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
SALT/SOLVATE -> PARENT