5-((4'-((2,6-Diamino-3-methyl-5-sulfophenyl)diazenyl)-3,3'-dimethyl[biphenyl]-4-yl)diazenyl)-2-hydroxybenzoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H26N6O6S
Molecular Weight	574.608
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 5-((4'-((2,6-Diamino-3-methyl-5-sulfophenyl)diazenyl)-3,3'-dimethyl[biphenyl]-4-yl)diazenyl)-2-hydroxybenzoic acid

Structure Search

SMILES

CC1=C(N)C(\N=N\C2=C(C)C=C(C=C2)C3=CC(C)=C(C=C3)\N=N\C4=CC(C(O)=O)=C(O)C=C4)=C(N)C(=C1)S(O)(=O)=O

InChI

InChIKey=QYRKLZKJMKCVSE-HSBKYFPUSA-N

InChI=1S/C28H26N6O6S/c1-14-10-17(4-7-21(14)32-31-19-6-9-23(35)20(13-19)28(36)37)18-5-8-22(15(2)11-18)33-34-27-25(29)16(3)12-24(26(27)30)41(38,39)40/h4-13,35H,29-30H2,1-3H3,(H,36,37)(H,38,39,40)/b32-31+,34-33+

HIDE SMILES / InChI

Molecular Formula	C28H26N6O6S
Molecular Weight	574.608
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 `Wed Apr 02 19:17:23 GMT 2025` Edited by `admin` on `Wed Apr 02 19:17:23 GMT 2025`
Record UNII	S7XX2ME599
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-((4'-((2,6-Diamino-3-methyl-5-sulfophenyl)diazenyl)-3,3'-dimethyl[biphenyl]-4-yl)diazenyl)-2-hydroxybenzoic acid

Systematic Name

English

NCI-0047742

Preferred Name

English

Benzoic acid, 5-[2-[4?-[2-(2,6-diamino-3-methyl-5-sulfophenyl)diazenyl]-3,3?-dimethyl[1,1?-biphenyl]-4-yl]diazenyl]-2-hydroxy-

Systematic Name

English

5-[2-[4?-[2-(2,6-Diamino-3-methyl-5-sulfophenyl)diazenyl]-3,3?-dimethyl[1,1?-biphenyl]-4-yl]diazenyl]-2-hydroxybenzoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

23125

Created by admin on Wed Apr 02 19:17:23 GMT 2025 , Edited by admin on Wed Apr 02 19:17:23 GMT 2025

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FDA UNII

S7XX2ME599

Created by admin on Wed Apr 02 19:17:23 GMT 2025 , Edited by admin on Wed Apr 02 19:17:23 GMT 2025

PRIMARY

CAS

741608-19-5

Created by admin on Wed Apr 02 19:17:23 GMT 2025 , Edited by admin on Wed Apr 02 19:17:23 GMT 2025

PRIMARY

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