TRISODIUM 4-AMINO-3-((4-(((4-((4-AMINO-2-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)PHENYL)AZO)-5-HYDROXY-6-((4-SULFOPHENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H24N9O12S3.3Na
Molecular Weight	927.782
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of TRISODIUM 4-AMINO-3-((4-(((4-((4-AMINO-2-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)PHENYL)AZO)-5-HYDROXY-6-((4-SULFOPHENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Structure Search

SMILES

[Na+].[Na+].[Na+].NC1=CC=C(\N=N\C2=CC=C(NC(=O)C3=CC=C(C=C3)\N=N\C4=C(N)C5=C(C=C4S([O-])(=O)=O)C=C(C(\N=N\C6=CC=C(C=C6)S([O-])(=O)=O)=C5O)S([O-])(=O)=O)C=C2)C(O)=C1

InChI

InChIKey=VTXBLLCRTSBGBD-JUDUKPAFSA-K

InChI=1S/C35H27N9O12S3.3Na/c36-20-3-14-26(27(45)17-20)42-39-23-8-6-21(7-9-23)38-35(47)18-1-4-22(5-2-18)40-43-32-28(58(51,52)53)15-19-16-29(59(54,55)56)33(34(46)30(19)31(32)37)44-41-24-10-12-25(13-11-24)57(48,49)50;;;/h1-17,45-46H,36-37H2,(H,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b42-39+,43-40+,44-41+;;;

HIDE SMILES / InChI

Molecular Formula	C35H24N9O12S3
Molecular Weight	858.813
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
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 `Sat Dec 16 08:32:45 GMT 2023` Edited by `admin` on `Sat Dec 16 08:32:45 GMT 2023`
Record UNII	XQH651A0QG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRISODIUM 4-AMINO-3-((4-(((4-((4-AMINO-2-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)PHENYL)AZO)-5-HYDROXY-6-((4-SULFOPHENYL)AZO)-2,7-NAPHTHALENEDISULFONATE

Common Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3-((4-(((4-((4-AMINO-2-HYDROXYPHENYL)AZO)PHENYL)AMINO)CARBONYL)PHENYL)AZO)-5-HYDROXY-6-((4-SULFOPHENYL)AZO)-, TRISODIUM SALT

Systematic Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-3-(2-(4-(((4-(2-(4-AMINO-2-HYDROXYPHENYL)DIAZENYL)PHENYL)AMINO)CARBONYL)PHENYL)DIAZENYL)-5-HYDROXY-6-(2-(4-SULFOPHENYL)DIAZENYL)-, SODIUM SALT (1:3)

Systematic Name

English

Code System Code Type Description

FDA UNII

XQH651A0QG

Created by admin on Sat Dec 16 08:32:45 GMT 2023 , Edited by admin on Sat Dec 16 08:32:45 GMT 2023

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ECHA (EC/EINECS)

275-000-9

Created by admin on Sat Dec 16 08:32:45 GMT 2023 , Edited by admin on Sat Dec 16 08:32:45 GMT 2023

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CAS

70900-28-6

Created by admin on Sat Dec 16 08:32:45 GMT 2023 , Edited by admin on Sat Dec 16 08:32:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID6072188

Created by admin on Sat Dec 16 08:32:45 GMT 2023 , Edited by admin on Sat Dec 16 08:32:45 GMT 2023

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