Molecule ID: 40468156

IUPAC Name: 2-oxo-3-[(1S)-3-oxo-1-phenylbutyl]chromen-4-olate

Description: The molecule is an organic anion that is the conjugate base of (S)-warfarin, obtained by deprotonation of the hydroxy group. It is a conjugate base of a (S)-warfarin. It is an enantiomer of a (R)-warfarin(1-).

SMILES: CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O

SELFIES: [C][C][=Branch1][C][=O][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O]

InChI: InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 3.3