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

Systemtic Name: 5-tert-butyl-3-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-5-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-5-[(3-methoxyphenyl)methylthio]-6-methylbenzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-5-[(3-methoxyphenyl)methylsulfanyl]-6-methylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-5-(m-anisylthio)-6-methyl-benzoic acid Formula: C20H24O4S MolecularWeight: 360.46716

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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(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24O4S/c1-12-16(25-11-13-7-6-8-14(9-13)24-5)10-15(20(2,3)4)18(21)17(12)19(22)23/h6-10,21H,11H2,1-5H3,(H,22,23)