Difenacoum

56073-07-5

CAS Name

Difenacoum

Molecular Formula

C₃₁H₂₄O₃

Molecular Mass

444.52

Compound Properties

• Melting Point (1)

  228-232 °C

Source(s)

• (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=FVQITOLOYMWVFU-UHFFFAOYSA-N

SMILES

OC1=C(C2C=3C(CC(C2)C4=CC=C(C=C4)C5=CC=CC=C5)=CC=CC3)C(=O)OC=6C1=CC=CC6

Canonical SMILES

O=C1OC=2C=CC=CC2C(O)=C1C3C=4C=CC=CC4CC(C=5C=CC(=CC5)C=6C=CC=CC6)C3

Other Names for this Substance