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Details

Stereochemistry ACHIRAL
Molecular Formula C15H11O7.Cl
Molecular Weight 338.697
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXYCYANIDIN CHLORIDE

SMILES

[Cl-].OC1=CC=C(C=C1O)C2=[O+]C3=C(C=C2O)C(O)=C(O)C(O)=C3

InChI

InChIKey=YRCARMUWFNJTTH-UHFFFAOYSA-N
InChI=1S/C15H10O7.ClH/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20;/h1-5H,(H5-,16,17,18,19,20,21);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 C15H11O7
Molecular Weight 303.2436
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
3X52YLJ8GX
Record Status Validated (UNII)
Record Version