TRISODIUM 5-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-((1-SULFO-2-NAPHTHALENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H11Cl2N6O10S3.3Na
Molecular Weight	767.438
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TRISODIUM 5-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-((1-SULFO-2-NAPHTHALENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].OC1=C2C(NC3=NC(Cl)=NC(Cl)=N3)=CC(=CC2=CC(=C1\N=N\C4=CC=C5C=CC=CC5=C4S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=ZZHYREJHWJCRBB-HUVHLSCJSA-K

InChI=1S/C23H14Cl2N6O10S3.3Na/c24-21-27-22(25)29-23(28-21)26-15-9-12(42(33,34)35)7-11-8-16(43(36,37)38)18(19(32)17(11)15)31-30-14-6-5-10-3-1-2-4-13(10)20(14)44(39,40)41;;;/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29);;;/q;3*+1/p-3/b31-30+;;;

HIDE SMILES / InChI

Molecular Formula	C23H11Cl2N6O10S3
Molecular Weight	698.469
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
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 19:40:56 GMT 2023` Edited by `admin` on `Fri Dec 15 19:40:56 GMT 2023`
Record UNII	3QZ4431AES
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRISODIUM 5-((4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-((1-SULFO-2-NAPHTHALENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Common Name

English

REACTIVE BRILLIANT RED X 6B

Brand Name

English

PROCION RED MX 8B

Brand Name

English

Code System Code Type Description

EPA CompTox

DTXSID00889776

Created by admin on Fri Dec 15 19:40:56 GMT 2023 , Edited by admin on Fri Dec 15 19:40:56 GMT 2023

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ECHA (EC/EINECS)

260-832-7

Created by admin on Fri Dec 15 19:40:56 GMT 2023 , Edited by admin on Fri Dec 15 19:40:56 GMT 2023

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FDA UNII

3QZ4431AES

Created by admin on Fri Dec 15 19:40:56 GMT 2023 , Edited by admin on Fri Dec 15 19:40:56 GMT 2023

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CAS

57583-69-4

Created by admin on Fri Dec 15 19:40:56 GMT 2023 , Edited by admin on Fri Dec 15 19:40:56 GMT 2023

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