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Details

Stereochemistry ACHIRAL
Molecular Formula C24H17N8O9S3.3Na
Molecular Weight 726.604
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of TRISODIUM 4,4',4''-(2,4-DIAMINO-1,3,5-PHENENYL)TRIS(AZO)- TRIBENZENESULFONATE

SMILES

[Na+].[Na+].[Na+].NC1=C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)C(N)=C(C=C1\N=N\C3=CC=C(C=C3)S([O-])(=O)=O)\N=N\C4=CC=C(C=C4)S([O-])(=O)=O

InChI

InChIKey=KXODKXZIBOAFDL-DHSVETASSA-K
InChI=1S/C24H20N8O9S3.3Na/c25-22-20(30-27-14-1-7-17(8-2-14)42(33,34)35)13-21(31-28-15-3-9-18(10-4-15)43(36,37)38)23(26)24(22)32-29-16-5-11-19(12-6-16)44(39,40)41;;;/h1-13H,25-26H2,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3/b30-27+,31-28+,32-29+;;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H17N8O9S3
Molecular Weight 657.635
Charge -3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:13:09 GMT 2023
Edited
by admin
on Fri Dec 15 17:13:09 GMT 2023
Record UNII
6VP3EZH4RI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRISODIUM 4,4',4''-(2,4-DIAMINO-1,3,5-PHENENYL)TRIS(AZO)- TRIBENZENESULFONATE
Common Name English
4,4',4''-(2,4-DIAMINO-1,3,5-PHENENYL)TRIS(AZO)-TRIBENZENESULFONATE
Common Name English
Brown FK component benzenesulfonic acid, 4,4',4''-((2,4-diamino-1,3,5- benzenetriyl)tris(azo))tris-, trisodium
Common Name English
BENZENESULFONIC ACID, 4,4',4''-((2,4-DIAMINO-S-PHENENYL)TRIS(AZO))TRI-, TRISODIUM SALT
Systematic Name English
TRISODIUM 4,4',4''-((2,4-DIAMINOBENZENE-1,3,5- TRIYL)TRIS(AZO))TRIS(BENZENESULPHONATE)
Common Name English
DIAMINO-1,3,5-PHENENYL)TRIS(AZO)-TRIBENZENESULPHONATE, 4,4',4''-(2,4-
Common Name English
BENZENESULFONIC ACID, 4,4',4''-((2,4-DIAMINO-1,3,5-BENZENETRIYL)TRIS(AZO))TRIS-, TRISODIUM SALT
Systematic Name English
Benzenesulfonic acid, 4,4',4''-((2,4-diamino-1,3,5- benzenetriyl)tris(azo))tris-, trisodium
Systematic Name English
Code System Code Type Description
CAS
16386-22-4
Created by admin on Fri Dec 15 17:13:09 GMT 2023 , Edited by admin on Fri Dec 15 17:13:09 GMT 2023
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EPA CompTox
DTXSID601020164
Created by admin on Fri Dec 15 17:13:09 GMT 2023 , Edited by admin on Fri Dec 15 17:13:09 GMT 2023
PRIMARY
FDA UNII
6VP3EZH4RI
Created by admin on Fri Dec 15 17:13:09 GMT 2023 , Edited by admin on Fri Dec 15 17:13:09 GMT 2023
PRIMARY
PUBCHEM
150158
Created by admin on Fri Dec 15 17:13:09 GMT 2023 , Edited by admin on Fri Dec 15 17:13:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-436-0
Created by admin on Fri Dec 15 17:13:09 GMT 2023 , Edited by admin on Fri Dec 15 17:13:09 GMT 2023
PRIMARY