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Details

Stereochemistry ACHIRAL
Molecular Formula C4H2O4.Ca
Molecular Weight 154.134
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM FUMARATE

SMILES

[Ca++].[O-]C(=O)\C=C\C([O-])=O

InChI

InChIKey=HDRTWMBOUSPQON-TYYBGVCCSA-L
InChI=1S/C4H4O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1+;

HIDE SMILES / InChI

Molecular Formula C4H2O4
Molecular Weight 114.0563
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
VD906S8V0I
Record Status Validated (UNII)
Record Version