Molecule ID: 122391261

IUPAC Name: methyl 2-[(2S)-4-butanoyl-3-hydroxy-5-oxo-2H-furan-2-yl]acetate

Description: The molecule is the methyl ester of carlosic acid. It is a butenolide, a methyl ester, an enol, a ketone and a tetronic acid derivative. It derives from a carlosic acid.

SMILES: CCCC(=O)C1=C(O)[C@H](CC(=O)OC)OC1=O

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

InChI: InChI=1S/C11H14O6/c1-3-4-6(12)9-10(14)7(17-11(9)15)5-8(13)16-2/h7,14H,3-5H2,1-2H3/t7-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.9 Ų
- LogP: 0.7