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Details

Stereochemistry ACHIRAL
Molecular Formula C14H15N3O4S.ClH
Molecular Weight 357.813
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Benzenesulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-, monohydrochloride

SMILES

Cl.COC1=CC(\N=N\C2=CC=C(C=C2)S(O)(=O)=O)=C(C)C=C1N

InChI

InChIKey=BLQJKDFPGRNLAR-CMBBICFISA-N
InChI=1S/C14H15N3O4S.ClH/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);1H/b17-16+;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H15N3O4S
Molecular Weight 321.352
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 19:16:59 GMT 2025
Edited
by admin
on Tue Apr 01 19:16:59 GMT 2025
Record UNII
NQK49973KD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[(4-Amino-5-methoxy-O-tolyl)azo]benzenesulfonic acid monohydrochloride
Preferred Name English
Benzenesulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-, monohydrochloride
Common Name English
Benzenesulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
68400-35-1
Created by admin on Tue Apr 01 19:16:59 GMT 2025 , Edited by admin on Tue Apr 01 19:16:59 GMT 2025
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FDA UNII
NQK49973KD
Created by admin on Tue Apr 01 19:16:59 GMT 2025 , Edited by admin on Tue Apr 01 19:16:59 GMT 2025
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EPA CompTox
DTXSID2071495
Created by admin on Tue Apr 01 19:16:59 GMT 2025 , Edited by admin on Tue Apr 01 19:16:59 GMT 2025
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ECHA (EC/EINECS)
270-024-6
Created by admin on Tue Apr 01 19:16:59 GMT 2025 , Edited by admin on Tue Apr 01 19:16:59 GMT 2025
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