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Details

Stereochemistry ACHIRAL
Molecular Formula C8H10O4.Ca
Molecular Weight 210.241
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM CIS-1,2-CYCLOHEXANEDICARBOXYLATE

SMILES

[Ca++].[O-]C(=O)[C@H]1CCCC[C@H]1C([O-])=O

InChI

InChIKey=XXHCQZDUJDEPSX-KNCHESJLSA-L
InChI=1S/C8H12O4.Ca/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h5-6H,1-4H2,(H,9,10)(H,11,12);/q;+2/p-2/t5-,6+;

HIDE SMILES / InChI

Molecular Formula C8H10O4
Molecular Weight 170.1626
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Ca
Molecular Weight 40.078
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 05:42:05 GMT 2023
Edited
by admin
on Sat Dec 16 05:42:05 GMT 2023
Record UNII
QB14054UHQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM CIS-1,2-CYCLOHEXANEDICARBOXYLATE
Systematic Name English
CALCIUM 1,2-CYCLOHEXANEDICARBOXYLATE, CIS-
Common Name English
1,2-CYCLOHEXANEDICARBOXYLIC ACID, CALCIUM SALT (1:1), (1R,2S)-REL-
Common Name English
CIS-1,2-CYCLOHEXANEDICARBOXYLIC ACID, CALCIUM SALT
Common Name English
1,2-CYCLOHEXANEDICARBOXYLIC ACID, CALCIUM SALT
Common Name English
HYPERFORM HPN 20E
Brand Name English
HPN 20E
Common Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 608
Created by admin on Sat Dec 16 05:42:05 GMT 2023 , Edited by admin on Sat Dec 16 05:42:05 GMT 2023
Code System Code Type Description
CAS
491589-22-1
Created by admin on Sat Dec 16 05:42:05 GMT 2023 , Edited by admin on Sat Dec 16 05:42:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID30197699
Created by admin on Sat Dec 16 05:42:05 GMT 2023 , Edited by admin on Sat Dec 16 05:42:05 GMT 2023
PRIMARY
FDA UNII
QB14054UHQ
Created by admin on Sat Dec 16 05:42:05 GMT 2023 , Edited by admin on Sat Dec 16 05:42:05 GMT 2023
PRIMARY
PUBCHEM
67202838
Created by admin on Sat Dec 16 05:42:05 GMT 2023 , Edited by admin on Sat Dec 16 05:42:05 GMT 2023
PRIMARY