DISODIUM N-ETHYL-N-4-((4-(ETHYL((2-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-2-SULFOBENZENEMETHANAMINIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H34N2O9S3.2Na
Molecular Weight	792.848
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM N-ETHYL-N-4-((4-(ETHYL((2-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-2-SULFOBENZENEMETHANAMINIUM

Structure Search

SMILES

[Na+].[Na+].CCN(CC1=C(C=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=CC=C4S([O-])(=O)=O)C5=C(C=CC=C5)S([O-])(=O)=O

InChI

InChIKey=WIVPFQNGNOYVCX-UHFFFAOYSA-L

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

HIDE SMILES / InChI

Molecular Formula	C37H34N2O9S3
Molecular Weight	746.869
Charge	-2
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:36:49 UTC 2023` Edited by `admin` on `Fri Dec 15 16:36:49 UTC 2023`
Record UNII	7D841YH5S9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DISODIUM N-ETHYL-N-4-((4-(ETHYL((2-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-2-SULFOBENZENEMETHANAMINIUM

Common Name

English

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

Common Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

7D841YH5S9

Created by admin on Fri Dec 15 16:36:49 UTC 2023 , Edited by admin on Fri Dec 15 16:36:49 UTC 2023

PRIMARY

PUBCHEM

73415851

Created by admin on Fri Dec 15 16:36:49 UTC 2023 , Edited by admin on Fri Dec 15 16:36:49 UTC 2023

PRIMARY