TRISODIUM 7-((4-CHLORO-6-(ETHYL(3-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-((4-METHOXY-2-SULFOPHENYL)AZO)-2-NAPHTHALENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H25ClN7O14S4.3Na
Molecular Weight	940.24
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TRISODIUM 7-((4-CHLORO-6-(ETHYL(3-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-((4-METHOXY-2-SULFOPHENYL)AZO)-2-NAPHTHALENESULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].CCN(C1=CC=CC(=C1)S(=O)(=O)CCOS([O-])(=O)=O)C2=NC(NC3=CC4=CC(=C(\N=N\C5=CC=C(OC)C=C5S([O-])(=O)=O)C(O)=C4C=C3)S([O-])(=O)=O)=NC(Cl)=N2

InChI

InChIKey=HBXOOEYXXBERDF-SJTGQFOWSA-K

InChI=1S/C30H28ClN7O14S4.3Na/c1-3-38(19-5-4-6-21(15-19)53(40,41)12-11-52-56(48,49)50)30-34-28(31)33-29(35-30)32-18-7-9-22-17(13-18)14-25(55(45,46)47)26(27(22)39)37-36-23-10-8-20(51-2)16-24(23)54(42,43)44;;;/h4-10,13-16,39H,3,11-12H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,32,33,34,35);;;/q;3*+1/p-3/b37-36+;;;

HIDE SMILES / InChI

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

Molecular Formula	C30H25ClN7O14S4
Molecular Weight	871.271
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:26:18 GMT 2023` Edited by `admin` on `Sat Dec 16 12:26:18 GMT 2023`
Record UNII	5LA7M66XAC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRISODIUM 7-((4-CHLORO-6-(ETHYL(3-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-((4-METHOXY-2-SULFOPHENYL)AZO)-2-NAPHTHALENESULFONATE

Systematic Name

English

2-NAPHTHALENESULFONIC ACID, 7-((4-CHLORO-6-(ETHYL(3-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-((4-METHOXY-2-SULFOPHENYL)AZO)-, TRISODIUM SALT

Systematic Name

English

2-NAPHTHALENESULFONIC ACID, 7-((4-CHLORO-6-(ETHYL(3-((2-(SULFOOXY)ETHYL)SULFONYL)PHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-4-HYDROXY-3-(2-(4-METHOXY-2-SULFOPHENYL)DIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

280-489-7

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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CAS

83567-04-8

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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EPA CompTox

DTXSID2072887

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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FDA UNII

5LA7M66XAC

Created by admin on Sat Dec 16 12:26:18 GMT 2023 , Edited by admin on Sat Dec 16 12:26:18 GMT 2023

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