2-[(2S,3S)-2-(3,5-dimethyl-2-oxidanyl-phenyl)carbonyl-5-oxidanylidene-oxolan-3-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S)-2-(3,5-dimethyl-2-oxidanyl-phenyl)carbonyl-5-oxidanylidene-oxolan-3-yl]ethanoic acid Openeye Name: 2-[(2S,3S)-2-(2-hydroxy-3,5-dimethyl-benzoyl)-5-oxo-tetrahydrofuran-3-yl]acetic acid CAS Name: 2-[(2S,3S)-2-[(2-hydroxy-3,5-dimethylphenyl)-oxomethyl]-5-oxo-3-oxolanyl]acetic acid IUPAC Name: 2-[(2S,3S)-2-(2-hydroxy-3,5-dimethylbenzoyl)-5-oxooxolan-3-yl]acetic acid Traditional Name: 2-[(2S,3S)-2-(2-hydroxy-3,5-dimethyl-benzoyl)-5-keto-tetrahydrofuran-3-yl]acetic acid Formula: C15H16O6 MolecularWeight: 292.28394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C2C(CC(=O)O2)CC(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)[C@@H]2[C@H](CC(=O)O2)CC(=O)O)O)C

InChI

InChI=1S/C15H16O6/c1-7-3-8(2)13(19)10(4-7)14(20)15-9(5-11(16)17)6-12(18)21-15/h3-4,9,15,19H,5-6H2,1-2H3,(H,16,17)/t9-,15-/m0/s1