(2S)-2-methyl-3-[4-[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-methyl-3-[4-[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]phenyl]propanoic acid Openeye Name: (2S)-3-[4-[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]phenyl]-2-methyl-propanoic acid CAS Name: (2S)-3-[4-[(2S)-1-hydroxy-1-oxopropan-2-yl]phenyl]-2-methylpropanoic acid IUPAC Name: (2S)-3-[4-[(2S)-1-hydroxy-1-oxopropan-2-yl]phenyl]-2-methylpropanoic acid Traditional Name: (2S)-3-[4-[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]phenyl]-2-methyl-propionic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1