3,3'-(Carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulfonic) acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H30Cl2N6O9S2
Molecular Weight	765.641
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 3,3'-(Carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulfonic) acid

Structure Search

SMILES

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=MKKXLCRLLZFQSR-NFSGFYSESA-N

InChI=1S/C31H30Cl2N6O9S2/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)/b38-36+,39-37+

HIDE SMILES / InChI

Molecular Formula	C31H30Cl2N6O9S2
Molecular Weight	765.641
Charge	0
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 `Tue Apr 01 19:10:56 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:56 GMT 2025`
Record UNII	UA2JSX29WL
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-

Preferred Name

English

3,3'-(Carbonylbis(imino(5-ethoxy-2-methyl-4,1-phenylene)azo))bis(6-chlorobenzenesulfonic) acid

Systematic Name

English

Code System Code Type Description

FDA UNII

UA2JSX29WL