4-ethanoylsulfanyl-4-methyl-2-oxidanyl-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 4-ethanoylsulfanyl-4-methyl-2-oxidanyl-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 4-acetylsulfanyl-2-hydroxy-4-methyl-3-oxo-5-phenyl-pentanoic acid CAS Name: 4-(acetylthio)-2-hydroxy-4-methyl-3-oxo-5-phenylpentanoic acid IUPAC Name: 4-acetylsulfanyl-2-hydroxy-4-methyl-3-oxo-5-phenylpentanoic acid Traditional Name: 4-(acetylthio)-2-hydroxy-3-keto-4-methyl-5-phenyl-valeric acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O5S/c1-9(15)20-14(2,12(17)11(16)13(18)19)8-10-6-4-3-5-7-10/h3-7,11,16H,8H2,1-2H3,(H,18,19)