Disodium 3,3'-(carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulfonate)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H28Cl2N6O9S2.2Na
Molecular Weight	809.604
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of Disodium 3,3'-(carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulfonate)

Structure Search

SMILES

[Na+].[Na+].CCOC1=C(NC(=O)NC2=C(OCC)C=C(\N=N\C3=CC(=C(Cl)C=C3)S([O-])(=O)=O)C(C)=C2)C=C(C)C(=C1)\N=N\C4=CC(=C(Cl)C=C4)S([O-])(=O)=O

InChI

InChIKey=SSKJAJFMJACGGY-PYIFGEPISA-L

InChI=1S/C31H30Cl2N6O9S2.2Na/c1-5-47-27-15-23(38-36-19-7-9-21(32)29(13-19)49(41,42)43)17(3)11-25(27)34-31(40)35-26-12-18(4)24(16-28(26)48-6-2)39-37-20-8-10-22(33)30(14-20)50(44,45)46;;/h7-16H,5-6H2,1-4H3,(H2,34,35,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-36+,39-37+;;

HIDE SMILES / InChI

Molecular Formula	C31H28Cl2N6O9S2
Molecular Weight	763.625
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:58:47 GMT 2025` Edited by `admin` on `Tue Apr 01 16:58:47 GMT 2025`
Record UNII	H9QZT5S34C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 3,3?-[carbonylbis[imino(5-ethoxy-2-methyl-4,1-phenylene)azo]]bis[6-chloro-, disodium salt

Preferred Name

English

Disodium 3,3'-(carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulfonate)

Systematic Name

English

Disodium 3,3'-(carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulphonate)

Systematic Name

English

Code System Code Type Description

CAS

94088-62-7