5-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 5-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-5-phenyl-pentanoic acid Openeye Name: 4-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-5-oxo-5-phenyl-pentanoic acid CAS Name: 4-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-5-oxo-5-phenylpentanoic acid IUPAC Name: 4-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-5-oxo-5-phenylpentanoic acid Traditional Name: 4-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-5-keto-5-phenyl-valeric acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(CCC(=O)O)C(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)SCC(CCC(=O)O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H18O5S/c1-10(15(19)20)21-9-12(7-8-13(16)17)14(18)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)(H,19,20)