Trisodium 4,4?,4??-[(2,4-diamino-1,3,5-benzenetriyl)tris(azo)]trisbenzenesulfonate

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-benzenetriyl)tris(azo)]trisbenzenesulfonate

Structure Search

SMILES

[Na+].[Na+].[Na+].NC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(N)=C(C=C1N=NC3=CC=C(C=C3)S([O-])(=O)=O)N=NC4=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	22.98976928
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 `Mon Mar 31 18:42:25 GMT 2025` Edited by `admin` on `Mon Mar 31 18:42:25 GMT 2025`
Record UNII	6VP3EZH4RI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Trisodium 4,4?,4??-[(2,4-diamino-1,3,5-benzenetriyl)tris(azo)]trisbenzenesulfonate

Systematic Name

English

Benzenesulfonic acid, 4,4',4''-((2,4-diamino-1,3,5- benzenetriyl)tris(azo))tris-, trisodium

Preferred Name

English

Benzenesulfonic acid, 4,4?,4??-[(2,4-diamino-1,3,5-benzenetriyl)tris(azo)]tris-, trisodium salt

Systematic 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

Code System Code Type Description

CAS

16386-22-4