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Details

Stereochemistry ACHIRAL
Molecular Formula 3C10H5NO5S.Fe
Molecular Weight 809.491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge -3

SHOW SMILES / InChI
Structure of ACID GREEN NO.1 PARENT

SMILES

[Fe+3].[O-]N=C1C(=O)C=CC2=C1C=CC(=C2)S([O-])(=O)=O.[O-]N=C3C(=O)C=CC4=C3C=CC(=C4)S([O-])(=O)=O.[O-]N=C5C(=O)C=CC6=C5C=CC(=C6)S([O-])(=O)=O

InChI

InChIKey=HOGSHSLHAQIKFI-UHFFFAOYSA-H
InChI=1S/3C10H7NO5S.Fe/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;/h3*1-5,13H,(H,14,15,16);/q;;;+3/p-6

HIDE SMILES / InChI

Molecular Formula Fe
Molecular Weight 55.845
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H6NO5S
Molecular Weight 252.223
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:02:10 GMT 2023
Edited
by admin
on Sat Dec 16 12:02:10 GMT 2023
Record UNII
YD028ME57X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID GREEN NO.1 PARENT
Common Name English
FERRATE(3-), TRIS(5,6-DIHYDRO-5-(HYDROXYIMINO-.KAPPA.N)-6-(OXO-.KAPPA.O)-2-NAPHTHALENESULFONATO(2-))-
Systematic Name English
Code System Code Type Description
FDA UNII
YD028ME57X
Created by admin on Sat Dec 16 12:02:10 GMT 2023 , Edited by admin on Sat Dec 16 12:02:10 GMT 2023
PRIMARY
CAS
701195-54-2
Created by admin on Sat Dec 16 12:02:10 GMT 2023 , Edited by admin on Sat Dec 16 12:02:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID3045013
Created by admin on Sat Dec 16 12:02:10 GMT 2023 , Edited by admin on Sat Dec 16 12:02:10 GMT 2023
PRIMARY
PUBCHEM
154727074
Created by admin on Sat Dec 16 12:02:10 GMT 2023 , Edited by admin on Sat Dec 16 12:02:10 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT