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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C8H7O2.Cd
Molecular Weight 382.691
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CADMIUM(II) 3-METHYLBENZOATE

SMILES

[Cd++].CC1=CC=CC(=C1)C([O-])=O.CC2=CC=CC(=C2)C([O-])=O

InChI

InChIKey=NKURFNBXKPMIBS-UHFFFAOYSA-L
InChI=1S/2C8H8O2.Cd/c2*1-6-3-2-4-7(5-6)8(9)10;/h2*2-5H,1H3,(H,9,10);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula C8H7O2
Molecular Weight 135.14
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cd
Molecular Weight 112.411
Charge 2
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 08:04:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:54 GMT 2023
Record UNII
585UT8T76J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CADMIUM(II) 3-METHYLBENZOATE
Systematic Name English
BENZOIC ACID, 3-METHYL-, CADMIUM SALT
Common Name English
BENZOIC ACID, 3-METHYL-, CADMIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID4041658
Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
268-458-6
Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023
PRIMARY
FDA UNII
585UT8T76J
Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023
PRIMARY
PUBCHEM
163181
Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023
PRIMARY
CAS
68092-45-5
Created by admin on Sat Dec 16 08:04:54 GMT 2023 , Edited by admin on Sat Dec 16 08:04:54 GMT 2023
PRIMARY