2-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-methyl-1H-imidazol-2-yl]carbonylsulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-methyl-1H-imidazol-2-yl]carbonylsulfanyl]ethanoic acid Openeye Name: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-methyl-1H-imidazole-2-carbonyl]sulfanylacetic acid CAS Name: 2-[[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-5-methyl-1H-imidazol-2-yl]-oxomethyl]thio]acetic acid IUPAC Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-5-methyl-1H-imidazole-2-carbonyl]sulfanylacetic acid Traditional Name: 2-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-methyl-1H-imidazole-2-carbonyl]thio]acetic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C(=O)SCC(=O)O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC1=C(N=C(N1)C(=O)SCC(=O)O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H28N2O4S/c1-11-16(23-18(22-11)19(27)28-10-15(24)25)12-8-13(20(2,3)4)17(26)14(9-12)21(5,6)7/h8-9,26H,10H2,1-7H3,(H,22,23)(H,24,25)