4-[4-(4-Hydroxy-2-methylphenylazo)anilino]-3-nitrobenzenesulfonic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H16N4O6S
Molecular Weight	428.419
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-[4-(4-Hydroxy-2-methylphenylazo)anilino]-3-nitrobenzenesulfonic acid

Structure Search

SMILES

CC1=CC(O)=CC=C1\N=N\C2=CC=C(NC3=CC=C(C=C3[N+]([O-])=O)S(O)(=O)=O)C=C2

InChI

InChIKey=LMWVIMOPAMZMLR-QURGRASLSA-N

InChI=1S/C19H16N4O6S/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26/h2-11,20,24H,1H3,(H,27,28,29)/b22-21+

HIDE SMILES / InChI

Molecular Formula	C19H16N4O6S
Molecular Weight	428.419
Charge	0
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 `Tue Apr 01 17:48:37 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:37 GMT 2025`
Record UNII	2ZC9GK6VQD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzenesulfonic acid, 4-[[4-[2-(4-hydroxy-2-methylphenyl)diazenyl]phenyl]amino]-3-nitro-

Preferred Name

English

4-[4-(4-Hydroxy-2-methylphenylazo)anilino]-3-nitrobenzenesulfonic acid

Systematic Name

English

Benzenesulfonic acid, 4-[[4-[(4-hydroxy-2-methylphenyl)azo]phenyl]amino]-3-nitro-

Systematic Name

English

4-[[4-[2-(4-Hydroxy-2-methylphenyl)diazenyl]phenyl]amino]-3-nitrobenzenesulfonic acid

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

253-944-2

Created by admin on Tue Apr 01 17:48:37 GMT 2025 , Edited by admin on Tue Apr 01 17:48:37 GMT 2025

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FDA UNII

2ZC9GK6VQD

Created by admin on Tue Apr 01 17:48:37 GMT 2025 , Edited by admin on Tue Apr 01 17:48:37 GMT 2025

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EPA CompTox

DTXSID6074621

Created by admin on Tue Apr 01 17:48:37 GMT 2025 , Edited by admin on Tue Apr 01 17:48:37 GMT 2025

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CAS

38455-53-7

Created by admin on Tue Apr 01 17:48:37 GMT 2025 , Edited by admin on Tue Apr 01 17:48:37 GMT 2025

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