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Details

Stereochemistry ACHIRAL
Molecular Formula C8H4O4.Ca
Molecular Weight 204.193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM TEREPHTHALATE

SMILES

[Ca++].[O-]C(=O)C1=CC=C(C=C1)C([O-])=O

InChI

InChIKey=AAEHPKIXIIACPQ-UHFFFAOYSA-L
InChI=1S/C8H6O4.Ca/c9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+2/p-2

HIDE SMILES / InChI

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

Molecular Formula C8H4O4
Molecular Weight 164.115
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
4N2LWP8E0L
Record Status Validated (UNII)
Record Version