2-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[5-tert-butyl-2-methyl-4-(p-tolylsulfonylsulfanyl)phenoxy]acetic acid CAS Name: 2-[5-tert-butyl-2-methyl-4-[(4-methylphenyl)sulfonylthio]phenoxy]acetic acid IUPAC Name: 2-[5-tert-butyl-2-methyl-4-(4-methylphenyl)sulfonylsulfanylphenoxy]acetic acid Traditional Name: 2-[5-tert-butyl-2-methyl-4-(tosylthio)phenoxy]acetic acid Formula: C20H24O5S2 MolecularWeight: 408.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)OCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2=CC(=C(C=C2C(C)(C)C)OCC(=O)O)C

InChI

InChI=1S/C20H24O5S2/c1-13-6-8-15(9-7-13)27(23,24)26-18-10-14(2)17(25-12-19(21)22)11-16(18)20(3,4)5/h6-11H,12H2,1-5H3,(H,21,22)