4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-butanoic acid CAS Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylthio]-4-oxobutanoic acid IUPAC Name: 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxobutanoic acid Traditional Name: 4-(4-tert-butylphenyl)-2-[(4-chlorobenzyl)thio]-4-keto-butyric acid Formula: C21H23ClO3S MolecularWeight: 390.92352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClO3S/c1-21(2,3)16-8-6-15(7-9-16)18(23)12-19(20(24)25)26-13-14-4-10-17(22)11-5-14/h4-11,19H,12-13H2,1-3H3,(H,24,25)