DISODIUM N-ETHYL-N-(4-((4-(ETHYL((2-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-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((2-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFOBENZENEMETHANAMINIUM HYDROXIDE

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(=C4)S([O-])(=O)=O)C5=C(C=C(O)C=C5)S([O-])(=O)=O

InChI

InChIKey=LIBYYBZCOIDXGZ-UHFFFAOYSA-L

InChI=1S/C37H36N2O10S3.2Na/c1-3-38(24-26-8-7-10-33(22-26)50(41,42)43)30-16-12-27(13-17-30)37(34-21-20-32(40)23-36(34)52(47,48)49)28-14-18-31(19-15-28)39(4-2)25-29-9-5-6-11-35(29)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	C37H34N2O10S3
Molecular Weight	762.868
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 16:23:34 GMT 2023` Edited by `admin` on `Fri Dec 15 16:23:34 GMT 2023`
Record UNII	X3J1G4M20S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM N-ETHYL-N-(4-((4-(ETHYL((2-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFOBENZENEMETHANAMINIUM HYDROXIDE

Common Name

English

BENZENEMETHANAMINIUM, N-ETHYL-N-(4-((4-(ETHYL((2-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFO-, INNER SALT, DISODIUM SALT

Systematic Name

English

BENZENEMETHANAMINIUM, N-ETHYL-N-(4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-2-SULFO-, INNER SALT, DISODIUM SALT

Systematic Name

English

Code System Code Type Description

FDA UNII

X3J1G4M20S

Created by admin on Fri Dec 15 16:23:35 GMT 2023 , Edited by admin on Fri Dec 15 16:23:35 GMT 2023

PRIMARY

CAS

875516-47-5

Created by admin on Fri Dec 15 16:23:35 GMT 2023 , Edited by admin on Fri Dec 15 16:23:35 GMT 2023

ALTERNATIVE

PUBCHEM

91617910

Created by admin on Fri Dec 15 16:23:35 GMT 2023 , Edited by admin on Fri Dec 15 16:23:35 GMT 2023

PRIMARY

CAS

565430-71-9

Created by admin on Fri Dec 15 16:23:35 GMT 2023 , Edited by admin on Fri Dec 15 16:23:35 GMT 2023

PRIMARY