(2S)-4-methoxy-4-oxidanylidene-2-(2,4,6-trimethylphenyl)butanoic acid

Systemtic Name: (2S)-4-methoxy-4-oxidanylidene-2-(2,4,6-trimethylphenyl)butanoic acid Openeye Name: (2S)-4-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)butanoic acid CAS Name: (2S)-4-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)butanoic acid IUPAC Name: (2S)-4-methoxy-4-oxo-2-(2,4,6-trimethylphenyl)butanoic acid Traditional Name: (2S)-4-keto-2-mesityl-4-methoxy-butyric acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4/c1-8-5-9(2)13(10(3)6-8)11(14(16)17)7-12(15)18-4/h5-6,11H,7H2,1-4H3,(H,16,17)/t11-/m0/s1