2-[(3S)-5-oxidanylidene-1-phenyl-hexan-3-yl]propanedioic acid

Systemtic Name: 2-[(3S)-5-oxidanylidene-1-phenyl-hexan-3-yl]propanedioic acid Openeye Name: 2-[(1S)-3-oxo-1-phenethyl-butyl]propanedioic acid CAS Name: 2-[(3S)-5-oxo-1-phenylhexan-3-yl]propanedioic acid IUPAC Name: 2-[(3S)-5-oxo-1-phenylhexan-3-yl]propanedioic acid Traditional Name: 2-[(1S)-3-keto-1-phenethyl-butyl]malonic acid Formula: C15H18O5 MolecularWeight: 278.30042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCC1=CC=CC=C1)C(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C[C@H](CCC1=CC=CC=C1)C(C(=O)O)C(=O)O

InChI

InChI=1S/C15H18O5/c1-10(16)9-12(13(14(17)18)15(19)20)8-7-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3,(H,17,18)(H,19,20)/t12-/m0/s1