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Details

Stereochemistry MIXED
Molecular Formula C31H24O3
Molecular Weight 444.5205
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFENACOUM

SMILES

OC1=C(C2CC(CC3=C2C=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)OC6=C1C=CC=C6

InChI

InChIKey=FVQITOLOYMWVFU-UHFFFAOYSA-N
InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2

HIDE SMILES / InChI

Molecular Formula C31H24O3
Molecular Weight 444.5205
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
SBA3K9U26B
Record Status Validated (UNII)
Record Version