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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H34N2O10S3.2Na
Molecular Weight	808.848
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((4-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-4-SULFOBENZENEMETHANAMINIUM HYDROXIDE

Structure Search

SMILES

[Na+].[Na+].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=CC=C(O)C=C5S([O-])(=O)=O

InChI

InChIKey=KVIINSMCFQJGTP-UHFFFAOYSA-L

InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-5-18-33(19-6-26)50(41,42)43)30-13-9-28(10-14-30)37(35-22-17-32(40)23-36(35)52(47,48)49)29-11-15-31(16-12-29)39(4-2)25-27-7-20-34(21-8-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2

HIDE SMILES / InChI

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

Molecular Formula	C37H34N2O10S3
Molecular Weight	762.868
Charge	-2
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 `Mon Mar 31 18:18:27 GMT 2025` Edited by `admin` on `Mon Mar 31 18:18:27 GMT 2025`
Record UNII	8J35SRX61M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Preferred Name

English

Code System Code Type Description

CAS

28120-24-3

Created by admin on Mon Mar 31 18:18:27 GMT 2025 , Edited by admin on Mon Mar 31 18:18:27 GMT 2025

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PUBCHEM

15072182

Created by admin on Mon Mar 31 18:18:27 GMT 2025 , Edited by admin on Mon Mar 31 18:18:27 GMT 2025

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FDA UNII

8J35SRX61M

Created by admin on Mon Mar 31 18:18:27 GMT 2025 , Edited by admin on Mon Mar 31 18:18:27 GMT 2025

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