U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C16H26O4.2C6H5Hg
Molecular Weight 837.76
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BIS(PHENYLMERCURY) DODECENYLSUCCINATE

SMILES

[Hg+]C1=CC=CC=C1.[Hg+]C2=CC=CC=C2.CCCCCCC\C=C\CCCC(CC([O-])=O)C([O-])=O

InChI

InChIKey=KQWJRKDZPFQKFW-HUMMXKGPSA-L
InChI=1S/C16H28O4.2C6H5.2Hg/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;2*1-2-4-6-5-3-1;;/h8-9,14H,2-7,10-13H2,1H3,(H,17,18)(H,19,20);2*1-5H;;/q;;;2*+1/p-2/b9-8+;;;;

HIDE SMILES / InChI

Molecular Formula C16H26O4
Molecular Weight 282.3752
Charge -2
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Molecular Formula C6H5Hg
Molecular Weight 277.69
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 08:27:55 GMT 2023
Edited
by admin
on Sat Dec 16 08:27:55 GMT 2023
Record UNII
A927N9K0OW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(PHENYLMERCURY) DODECENYLSUCCINATE
Systematic Name English
NSC-56777
Code English
SUPER AD-IT
Brand Name English
NUODEX SUPER AD-IT
Brand Name English
BUTANEDIOIC ACID, (TETRAPROPENYL)-, MERCURY COMPLEX
Common Name English
MERCURY, DIPHENYL(.MU.-((TETRAPROPENYL)BUTANEDIOATO(2-)-.KAPPA.O1:.KAPPA.O4))DI-
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 66001
Created by admin on Sat Dec 16 08:27:55 GMT 2023 , Edited by admin on Sat Dec 16 08:27:55 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
248-355-2
Created by admin on Sat Dec 16 08:27:55 GMT 2023 , Edited by admin on Sat Dec 16 08:27:55 GMT 2023
PRIMARY
FDA UNII
A927N9K0OW
Created by admin on Sat Dec 16 08:27:55 GMT 2023 , Edited by admin on Sat Dec 16 08:27:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID80895092
Created by admin on Sat Dec 16 08:27:55 GMT 2023 , Edited by admin on Sat Dec 16 08:27:55 GMT 2023
PRIMARY
PUBCHEM
16683090
Created by admin on Sat Dec 16 08:27:55 GMT 2023 , Edited by admin on Sat Dec 16 08:27:55 GMT 2023
PRIMARY
CAS
27236-65-3
Created by admin on Sat Dec 16 08:27:55 GMT 2023 , Edited by admin on Sat Dec 16 08:27:55 GMT 2023
PRIMARY
NSC
56777
Created by admin on Sat Dec 16 08:27:55 GMT 2023 , Edited by admin on Sat Dec 16 08:27:55 GMT 2023
PRIMARY