[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 5-methylfuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 5-methylfuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)OC(C)C(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(O1)C(=O)O[C@@H](C)C(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C18H20O4/c1-10-8-12(3)15(9-11(10)2)17(19)14(5)22-18(20)16-7-6-13(4)21-16/h6-9,14H,1-5H3/t14-/m0/s1