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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15N3O6S2
Molecular Weight 421.448
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[2-(4-Amino-2-methylphenyl)diazenyl]-1,5-naphthalenedisulfonic acid

SMILES

CC1=CC(N)=CC=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=XXZDPVOWJBCNQC-FMQUCBEESA-N
InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/b20-19+

HIDE SMILES / InChI

Molecular Formula C17H15N3O6S2
Molecular Weight 421.448
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 18:46:19 GMT 2025
Edited
by admin
on Tue Apr 01 18:46:19 GMT 2025
Record UNII
MH3QME85AJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[2-(4-Amino-2-methylphenyl)diazenyl]-1,5-naphthalenedisulfonic acid
Systematic Name English
1,5-NAPHTHALENEDISULFONIC ACID, 3-((4-AMINO-2-METHYLPHENYL)AZO)-
Preferred Name English
3-[(4-Amino-O-tolyl)azo]naphthalene-1,5-disulfonic acid
Common Name English
1,5-Naphthalenedisulfonic acid, 3-[2-(4-amino-2-methylphenyl)diazenyl]-
Systematic Name English
3-[(4-Amino-2-methylphenyl)azo]-1,5-naphthalenedisulfonic acid
Common Name English
Code System Code Type Description
PUBCHEM
66546
Created by admin on Tue Apr 01 18:46:19 GMT 2025 , Edited by admin on Tue Apr 01 18:46:19 GMT 2025
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FDA UNII
MH3QME85AJ
Created by admin on Tue Apr 01 18:46:19 GMT 2025 , Edited by admin on Tue Apr 01 18:46:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID2058914
Created by admin on Tue Apr 01 18:46:19 GMT 2025 , Edited by admin on Tue Apr 01 18:46:19 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-575-2
Created by admin on Tue Apr 01 18:46:19 GMT 2025 , Edited by admin on Tue Apr 01 18:46:19 GMT 2025
PRIMARY
CAS
84-94-6
Created by admin on Tue Apr 01 18:46:19 GMT 2025 , Edited by admin on Tue Apr 01 18:46:19 GMT 2025
PRIMARY