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Details

Stereochemistry ACHIRAL
Molecular Formula 3C18H31O2.Fe
Molecular Weight 894.158
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 6
Charge 0

SHOW SMILES / InChI
Structure of FERRIC LINOLEATE

SMILES

[Fe+3].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O.CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O.CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O

InChI

InChIKey=AEJDTAYHARDWRW-VLKMOBIUSA-K
InChI=1S/3C18H32O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;;+3/p-3/b3*7-6-,10-9-;

HIDE SMILES / InChI

Molecular Formula Fe
Molecular Weight 55.845
Charge 3
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 C18H31O2
Molecular Weight 279.4375
Charge -1
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
XN14Q43F67
Record Status Validated (UNII)
Record Version