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Details

Stereochemistry ACHIRAL
Molecular Formula C14H8I3O4.Na
Molecular Weight 643.9141
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIRATRICOL SODIUM

SMILES

[Na+].OC1=CC=C(OC2=C(I)C=C(CC([O-])=O)C=C2I)C=C1I

InChI

InChIKey=BBBAIWCYEJXUMH-UHFFFAOYSA-M
InChI=1S/C14H9I3O4.Na/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20;/h1-4,6,18H,5H2,(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C14H8I3O4
Molecular Weight 620.9243
Charge -1
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 Na
Molecular Weight 22.9898
Charge 1
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
3HK9045D54
Record Status Validated (UNII)
Record Version