(3S)-3-methyl-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: (3S)-3-methyl-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: (3S)-4-benzyloxy-3-methyl-4-oxo-butanoic acid CAS Name: (3S)-3-methyl-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: (3S)-3-methyl-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: (3S)-4-benzoxy-4-keto-3-methyl-butyric acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](CC(=O)O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H14O4/c1-9(7-11(13)14)12(15)16-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m0/s1