Diammonium 3,3?-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-trimethyl]benzenesulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H28N2O8S2.2H4N
Molecular Weight	668.78
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Diammonium 3,3?-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-trimethyl]benzenesulfonate

Structure Search

SMILES

[NH4+].[NH4+].CC1=CC(C)=C(C(C)=C1NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(NC5=C(C)C=C(C)C(=C5C)S([O-])(=O)=O)C=C2)S([O-])(=O)=O

InChI

InChIKey=SMYAHQBVEFIHFN-UHFFFAOYSA-N

InChI=1S/C32H30N2O8S2.2H3N/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42;;/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42);2*1H3

HIDE SMILES / InChI

Molecular Formula	C32H28N2O8S2
Molecular Weight	632.703
Charge	-2
Count

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

Molecular Formula	H4N
Molecular Weight	18.0385
Charge	1
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:32:35 GMT 2025` Edited by `admin` on `Wed Apr 02 14:32:35 GMT 2025`
Record UNII	3DR5Z25BD6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Benzenesulfonic acid, 3,3?-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-trimethyl-, ammonium salt (1:2)

Preferred Name

English

Diammonium 3,3?-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-trimethyl]benzenesulfonate

Systematic Name

English

diazanium,3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate

Systematic Name

English

Benzenesulfonic acid, 3,3?-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-trimethyl-, diammonium salt

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50890392

Created by admin on Wed Apr 02 14:32:35 GMT 2025 , Edited by admin on Wed Apr 02 14:32:35 GMT 2025

PRIMARY

PUBCHEM

44153330

Created by admin on Wed Apr 02 14:32:35 GMT 2025 , Edited by admin on Wed Apr 02 14:32:35 GMT 2025

PRIMARY

FDA UNII

3DR5Z25BD6

Created by admin on Wed Apr 02 14:32:35 GMT 2025 , Edited by admin on Wed Apr 02 14:32:35 GMT 2025

PRIMARY

CAS

79373-34-5

Created by admin on Wed Apr 02 14:32:35 GMT 2025 , Edited by admin on Wed Apr 02 14:32:35 GMT 2025

PRIMARY

Related Record Type Details


					3C2U6FZ555

ACID BLUE 80 FREE ACID

PARENT -> SALT/SOLVATE

Amount: