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

Systemtic Name: 2-[(1S)-2,2-dimethyl-3-oxidanylidene-1-phenyl-propyl]propanedioate Openeye Name: 2-[(1S)-2,2-dimethyl-3-oxo-1-phenyl-propyl]propanedioate CAS Name: 2-[(1S)-2,2-dimethyl-3-oxo-1-phenylpropyl]propanedioate IUPAC Name: 2-[(1S)-2,2-dimethyl-3-oxo-1-phenylpropyl]propanedioate Traditional Name: 2-[(1S)-3-keto-2,2-dimethyl-1-phenyl-propyl]malonate Formula: C14H14O5-2 MolecularWeight: 262.25796

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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)/p-2/t11-/m1/s1