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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13N3O5
Molecular Weight 351.3129
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-2-naphthoic acid

SMILES

CC1=CC=C(C=C1N=NC2=C(O)C(=CC3=C2C=CC=C3)C(O)=O)[N+]([O-])=O

InChI

InChIKey=XGIFPIXDLFQMOU-FMQUCBEESA-N
InChI=1S/C18H13N3O5/c1-10-6-7-12(21(25)26)9-15(10)19-20-16-13-5-3-2-4-11(13)8-14(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)/b20-19+

HIDE SMILES / InChI

Molecular Formula C18H13N3O5
Molecular Weight 351.3129
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 Sat Dec 16 12:52:20 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:20 GMT 2023
Record UNII
2JK4M6J6TJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-2-naphthoic acid
Systematic Name English
2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-
Systematic Name English
2-NAPHTHALENECARBOXYLIC ACID, 3-HYDROXY-4-((2-METHYL-5-NITROPHENYL)AZO)-
Common Name English
3-Hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-2-naphthalenecarboxylic acid
Systematic Name English
Code System Code Type Description
CAS
68959-32-0
Created by admin on Sat Dec 16 12:52:20 GMT 2023 , Edited by admin on Sat Dec 16 12:52:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID9071929
Created by admin on Sat Dec 16 12:52:20 GMT 2023 , Edited by admin on Sat Dec 16 12:52:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
273-413-9
Created by admin on Sat Dec 16 12:52:20 GMT 2023 , Edited by admin on Sat Dec 16 12:52:20 GMT 2023
PRIMARY
PUBCHEM
111959
Created by admin on Sat Dec 16 12:52:20 GMT 2023 , Edited by admin on Sat Dec 16 12:52:20 GMT 2023
PRIMARY
FDA UNII
2JK4M6J6TJ
Created by admin on Sat Dec 16 12:52:20 GMT 2023 , Edited by admin on Sat Dec 16 12:52:20 GMT 2023
PRIMARY