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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13N3O6S
Molecular Weight 387.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-[2-(6-Amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]benzoic acid

SMILES

NC1=CC2=C(C=C1)C(O)=C(\N=N\C3=C(C=CC=C3)C(O)=O)C(=C2)S(O)(=O)=O

InChI

InChIKey=RTTVSZDELFXAPX-FMQUCBEESA-N
InChI=1S/C17H13N3O6S/c18-10-5-6-11-9(7-10)8-14(27(24,25)26)15(16(11)21)20-19-13-4-2-1-3-12(13)17(22)23/h1-8,21H,18H2,(H,22,23)(H,24,25,26)/b20-19+

HIDE SMILES / InChI

Molecular Formula C17H13N3O6S
Molecular Weight 387.367
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 19:33:23 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:23 GMT 2025
Record UNII
JWJ3Z37JSL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[2-(6-Amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]benzoic acid
Systematic Name English
Benzoic acid, 2-[(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-
Preferred Name English
Benzoic acid, o-(6-amino-1-hydroxy-3-sulfo-2-naphthylazo)-
Systematic Name English
Benzoic acid, 2-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
109535
Created by admin on Tue Apr 01 19:33:23 GMT 2025 , Edited by admin on Tue Apr 01 19:33:23 GMT 2025
PRIMARY
CAS
68133-35-7
Created by admin on Tue Apr 01 19:33:23 GMT 2025 , Edited by admin on Tue Apr 01 19:33:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID9071137
Created by admin on Tue Apr 01 19:33:23 GMT 2025 , Edited by admin on Tue Apr 01 19:33:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
268-678-2
Created by admin on Tue Apr 01 19:33:23 GMT 2025 , Edited by admin on Tue Apr 01 19:33:23 GMT 2025
PRIMARY
FDA UNII
JWJ3Z37JSL
Created by admin on Tue Apr 01 19:33:23 GMT 2025 , Edited by admin on Tue Apr 01 19:33:23 GMT 2025
PRIMARY