Disodium 4,4’-(2,4-diamino-5-methyl-1,3-phenylenebisazo)dibenzenesulphonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H16N6O6S2.2Na
Molecular Weight	534.476
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Disodium 4,4’-(2,4-diamino-5-methyl-1,3-phenylenebisazo)dibenzenesulphonate

Structure Search

SMILES

[Na+].[Na+].CC1=C(N)C(\N=N\C2=CC=C(C=C2)S([O-])(=O)=O)=C(N)C(=C1)\N=N\C3=CC=C(C=C3)S([O-])(=O)=O

InChI

InChIKey=QNDVPOIZQPHPLL-WUROJHRBSA-L

InChI=1S/C19H18N6O6S2.2Na/c1-11-10-16(24-22-12-2-6-14(7-3-12)32(26,27)28)18(21)19(17(11)20)25-23-13-4-8-15(9-5-13)33(29,30)31;;/h2-10H,20-21H2,1H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/b24-22+,25-23+;;

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	C19H16N6O6S2
Molecular Weight	488.497
Charge	-2
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 `Sat Dec 16 12:42:40 GMT 2023` Edited by `admin` on `Sat Dec 16 12:42:40 GMT 2023`
Record UNII	2YWZ7Y88JZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Disodium 4,4’-(2,4-diamino-5-methyl-1,3-phenylenebisazo)dibenzenesulphonate

Systematic Name

English

Benzenesulfonic acid, 4,4′-[(2,4-diamino-5-methyl-m-phenylene)bis(azo)]di-, disodium salt

Common Name

English

NSC-65540

Code

English

Code System Code Type Description

EPA CompTox

DTXSID601019991