2-[(1S)-2,2-dimethyl-3-oxidanylidene-1-phenyl-propyl]propanedioic acid

Systemtic Name: 2-[(1S)-2,2-dimethyl-3-oxidanylidene-1-phenyl-propyl]propanedioic acid Openeye Name: 2-[(1S)-2,2-dimethyl-3-oxo-1-phenyl-propyl]propanedioic acid CAS Name: 2-[(1S)-2,2-dimethyl-3-oxo-1-phenylpropyl]propanedioic acid IUPAC Name: 2-[(1S)-2,2-dimethyl-3-oxo-1-phenylpropyl]propanedioic acid Traditional Name: 2-[(1S)-3-keto-2,2-dimethyl-1-phenyl-propyl]malonic acid Formula: C14H16O5 MolecularWeight: 264.27384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5/c1-14(2,8-15)11(9-6-4-3-5-7-9)10(12(16)17)13(18)19/h3-8,10-11H,1-2H3,(H,16,17)(H,18,19)/t11-/m1/s1