5-tert-butyl-3-(4-chloranyl-3-iodanyl-phenyl)carbonyl-2-methyl-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-3-(4-chloranyl-3-iodanyl-phenyl)carbonyl-2-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-5-(4-chloro-3-iodo-benzoyl)-2-hydroxy-6-methyl-benzoic acid CAS Name: 3-tert-butyl-5-[(4-chloro-3-iodophenyl)-oxomethyl]-2-hydroxy-6-methylbenzoic acid IUPAC Name: 3-tert-butyl-5-(4-chloro-3-iodobenzoyl)-2-hydroxy-6-methylbenzoic acid Traditional Name: 3-tert-butyl-5-(4-chloro-3-iodo-benzoyl)-2-hydroxy-6-methyl-benzoic acid Formula: C19H18ClIO4 MolecularWeight: 472.70129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClIO4/c1-9-11(16(22)10-5-6-13(20)14(21)7-10)8-12(19(2,3)4)17(23)15(9)18(24)25/h5-8,23H,1-4H3,(H,24,25)