ACID RED 111 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C37H30N4O10S3
Molecular Weight	786.85
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)\N=N\C3=CC(C)=C(C=C3)C4=C(C)C=C(C=C4)\N=N\C5=C(C=C6C=C(C=CC6=C5O)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=YSHSHWHUIBZXKJ-VJETXLNASA-N

InChI=1S/C37H30N4O10S3/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48)/b39-38+,41-40+

HIDE SMILES / InChI

Molecular Formula	C37H30N4O10S3
Molecular Weight	786.85
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:31:09 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:09 GMT 2025`
Record UNII	DH7K645W2Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACID RED 111 PARENT

Preferred Name

English

ACID RED 111 FREE ACID

Common Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 3-((2,2'-DIMETHYL-4'-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-4-HYDROXY-

Systematic Name

English

2,7-NAPHTHALENEDISULFONIC ACID, 3-(2-(2,2'-DIMETHYL-4'-(2-(4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-4-HYDROXY-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

249-460-6

Created by admin on Mon Mar 31 22:31:09 GMT 2025 , Edited by admin on Mon Mar 31 22:31:09 GMT 2025

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FDA UNII

DH7K645W2Y

Created by admin on Mon Mar 31 22:31:09 GMT 2025 , Edited by admin on Mon Mar 31 22:31:09 GMT 2025

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CAS

29128-77-6

Created by admin on Mon Mar 31 22:31:09 GMT 2025 , Edited by admin on Mon Mar 31 22:31:09 GMT 2025

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EPA CompTox

DTXSID4045054

Created by admin on Mon Mar 31 22:31:09 GMT 2025 , Edited by admin on Mon Mar 31 22:31:09 GMT 2025

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