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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17N3O8S2
Molecular Weight 467.473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid

SMILES

COC1=C(N)C=C(C)C(=C1)\N=N\C2=CC(=CC3=CC(=CC(O)=C23)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=RRMNLFKNUMFJTH-QZQOTICOSA-N
InChI=1S/C18H17N3O8S2/c1-9-3-13(19)17(29-2)8-14(9)20-21-15-6-11(30(23,24)25)4-10-5-12(31(26,27)28)7-16(22)18(10)15/h3-8,22H,19H2,1-2H3,(H,23,24,25)(H,26,27,28)/b21-20+

HIDE SMILES / InChI

Molecular Formula C18H17N3O8S2
Molecular Weight 467.473
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 12:18:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:31 GMT 2023
Record UNII
46P5T9F8LE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[2-(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid
Systematic Name English
2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxy-
Systematic Name English
2,7-Naphthalenedisulfonic acid, 4-[(4-amino-5-methoxy-2-methylphenyl)azo]-5-hydroxy-
Systematic Name English
Code System Code Type Description
CAS
68084-16-2
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID7071070
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
FDA UNII
46P5T9F8LE
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
268-428-2
Created by admin on Sat Dec 16 12:18:31 GMT 2023 , Edited by admin on Sat Dec 16 12:18:31 GMT 2023
PRIMARY