DIAMMONIUM 2-((4-(ETHYL(4-SULFONATOBENZYL)AMINO)PHENYL)((4-(ETHYL(4-SULFONATOBENZYL)IMINIO)CYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H34N2O9S3.2H4N
Molecular Weight	782.946
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIAMMONIUM 2-((4-(ETHYL(4-SULFONATOBENZYL)AMINO)PHENYL)((4-(ETHYL(4-SULFONATOBENZYL)IMINIO)CYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL)BENZENESULFONATE

Structure Search

SMILES

[NH4+].[NH4+].CCN(CC1=CC=C(C=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=C(C=C4)S([O-])(=O)=O)C5=C(C=CC=C5)S([O-])(=O)=O

InChI

InChIKey=TVCBMJCHKADLEE-UHFFFAOYSA-N

InChI=1S/C37H36N2O9S3.2H3N/c1-3-38(25-27-9-21-33(22-10-27)49(40,41)42)31-17-13-29(14-18-31)37(35-7-5-6-8-36(35)51(46,47)48)30-15-19-32(20-16-30)39(4-2)26-28-11-23-34(24-12-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3

HIDE SMILES / InChI

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
Count

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

Molecular Formula	C37H36N2O9S3
Molecular Weight	748.885
Charge	0
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 `Fri Dec 15 15:40:07 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:07 GMT 2023`
Record UNII	5130S0U11X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIAMMONIUM 2-((4-(ETHYL(4-SULFONATOBENZYL)AMINO)PHENYL)((4-(ETHYL(4-SULFONATOBENZYL)IMINIO)CYCLOHEXA-2,5-DIEN-1-YLIDENE)METHYL)BENZENESULFONATE

Common Name

English

BENZENEMETHANAMINIUM, N-ETHYL-N-(4-((4-(ETHYL((4-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-4-SULFO-, INNER SALT, AMMONIUM SALT (1:2)

Common Name

English

DIAMMONIUM SALT OF ETHYL (4-(P-(ETHYL(P- SULFOBENZYL) AMINO)-.ALPHA.-(O-SULFOPHENYL) BENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)(P-SULFOBENZYL)AMMONIUM HYDROXIDE INNER SALT

Common Name

English

DIAMMONIUM SALT OF ETHYL (4-(P-(ETHYL(P- SULFOBENZYL) AMINO)-.ALPHA.-(O- SULFOPHENYL) BENZYLIDENE)-2,5-CYCLOHEXADIEN - 1-YLIDENE)(P- SULFOBENZYL) AMMONIUM HYDROXIDE INNER SALT

Common Name

English

Code System Code Type Description

FDA UNII

5130S0U11X

Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023

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PUBCHEM

76959103

Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023

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CAS

6371-85-3

Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023

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EPA CompTox

DTXSID701021541

Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023

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