5-tert-butyl-2-methyl-6-oxidanyl-3-[2,4,5-tris(chloranyl)phenyl]sulfanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-6-oxidanyl-3-[2,4,5-tris(chloranyl)phenyl]sulfanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(2,4,5-trichlorophenyl)sulfanyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[(2,4,5-trichlorophenyl)thio]benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(2,4,5-trichlorophenyl)sulfanylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[(2,4,5-trichlorophenyl)thio]benzoic acid Formula: C18H17Cl3O3S MolecularWeight: 419.74978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C18H17Cl3O3S/c1-8-13(25-14-7-11(20)10(19)6-12(14)21)5-9(18(2,3)4)16(22)15(8)17(23)24/h5-7,22H,1-4H3,(H,23,24)