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Details

Stereochemistry ACHIRAL
Molecular Formula 2C8H15O2.Ca
Molecular Weight 326.485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM OCTANOATE

SMILES

[Ca++].CCCCCCCC([O-])=O.CCCCCCCC([O-])=O

InChI

InChIKey=NDWWLJQHOLSEHX-UHFFFAOYSA-L
InChI=1S/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/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 C8H15O2
Molecular Weight 143.2035
Charge -1
Count
MOL RATIO 2 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
606VZD154T
Record Status Validated (UNII)
Record Version