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Details

Stereochemistry ACHIRAL
Molecular Formula C37H36N2O10S3
Molecular Weight 764.884
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FAST GREEN FREE ACID

SMILES

CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=CC(=C4)S(O)(=O)=O)C5=C(C=C(O)C=C5)S([O-])(=O)=O

InChI

InChIKey=VVJKKKDJADMKNM-UHFFFAOYSA-N
InChI=1S/C37H36N2O10S3/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49)

HIDE SMILES / InChI

Molecular Formula C37H36N2O10S3
Molecular Weight 764.884
Charge 0
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 07:55:15 UTC 2023
Edited
by admin
on Sat Dec 16 07:55:15 UTC 2023
Record UNII
7G5QXS453J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FAST GREEN FREE ACID
Common Name English
J247.014D
Code English
BENZENEMETHANAMINIUM, N-ETHYL-N-(4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFO-, INNER SALT
Systematic Name English
N-ETHYL-N-(4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(4-HYDROXY-2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFONATOBENZENEMETHANAMINIUM
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6044301
Created by admin on Sat Dec 16 07:55:15 UTC 2023 , Edited by admin on Sat Dec 16 07:55:15 UTC 2023
PRIMARY
PUBCHEM
4333500
Created by admin on Sat Dec 16 07:55:15 UTC 2023 , Edited by admin on Sat Dec 16 07:55:15 UTC 2023
PRIMARY
CAS
25738-40-3
Created by admin on Sat Dec 16 07:55:15 UTC 2023 , Edited by admin on Sat Dec 16 07:55:15 UTC 2023
PRIMARY
FDA UNII
7G5QXS453J
Created by admin on Sat Dec 16 07:55:15 UTC 2023 , Edited by admin on Sat Dec 16 07:55:15 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT