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

Systemtic Name: 2-[(2S,3R)-2-(2-methoxy-3,5-dimethyl-phenyl)carbonyl-5-oxidanylidene-oxolan-3-yl]ethanoic acid Openeye Name: 2-[(2S,3R)-2-(2-methoxy-3,5-dimethyl-benzoyl)-5-oxo-tetrahydrofuran-3-yl]acetic acid CAS Name: 2-[(2S,3R)-2-[(2-methoxy-3,5-dimethylphenyl)-oxomethyl]-5-oxo-3-oxolanyl]acetic acid IUPAC Name: 2-[(2S,3R)-2-(2-methoxy-3,5-dimethylbenzoyl)-5-oxooxolan-3-yl]acetic acid Traditional Name: 2-[(2S,3R)-5-keto-2-(2-methoxy-3,5-dimethyl-benzoyl)tetrahydrofuran-3-yl]acetic acid Formula: C16H18O6 MolecularWeight: 306.31052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O6/c1-8-4-9(2)15(21-3)11(5-8)14(20)16-10(6-12(17)18)7-13(19)22-16/h4-5,10,16H,6-7H2,1-3H3,(H,17,18)/t10-,16+/m1/s1