5-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]phenyl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanyl]phenyl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanyl]phenyl]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]phenyl]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanyl]phenyl]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]phenyl]-5-keto-3,3-dimethyl-valeric acid Formula: C25H30O5S MolecularWeight: 442.5677

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=CC=C(C=C2)C(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSC2=CC=C(C=C2)C(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C25H30O5S/c1-5-6-21-18(9-12-20(16(2)26)24(21)30)15-31-19-10-7-17(8-11-19)22(27)13-25(3,4)14-23(28)29/h7-12,30H,5-6,13-15H2,1-4H3,(H,28,29)