5-tert-butyl-3-[(4-chlorophenyl)methylsulfanyl]-2-methyl-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-3-[(4-chlorophenyl)methylsulfanyl]-2-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-5-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-6-methyl-benzoic acid CAS Name: 3-tert-butyl-5-[(4-chlorophenyl)methylthio]-2-hydroxy-6-methylbenzoic acid IUPAC Name: 3-tert-butyl-5-[(4-chlorophenyl)methylsulfanyl]-2-hydroxy-6-methylbenzoic acid Traditional Name: 3-tert-butyl-5-[(4-chlorobenzyl)thio]-2-hydroxy-6-methyl-benzoic acid Formula: C19H21ClO3S MolecularWeight: 364.88624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H21ClO3S/c1-11-15(24-10-12-5-7-13(20)8-6-12)9-14(19(2,3)4)17(21)16(11)18(22)23/h5-9,21H,10H2,1-4H3,(H,22,23)