5-tert-butyl-2-methyl-6-oxidanyl-3-phenethylsulfanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-6-oxidanyl-3-phenethylsulfanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-phenethylsulfanyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(phenethylthio)benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-phenethylsulfanylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(phenethylthio)benzoic acid Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCCC2=CC=CC=C2

InChI

InChI=1S/C20H24O3S/c1-13-16(24-11-10-14-8-6-5-7-9-14)12-15(20(2,3)4)18(21)17(13)19(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)