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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13O5.Cl
Molecular Weight 320.724
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIOSMETINIDIN

SMILES

[Cl-].COC1=C(O)C=C(C=C1)C2=[O+]C3=CC(O)=CC(O)=C3C=C2

InChI

InChIKey=OXTYCUBGMFGOAX-UHFFFAOYSA-N
InChI=1S/C16H12O5.ClH/c1-20-15-4-2-9(6-13(15)19)14-5-3-11-12(18)7-10(17)8-16(11)21-14;/h2-8H,1H3,(H2-,17,18,19);1H

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
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 C16H13O5
Molecular Weight 285.2714
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
GL562AJ8JY
Record Status Validated (UNII)
Record Version