1-[4-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-1-benzothiophen-2-yl]ethanone

Systemtic Name: 1-[4-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-1-benzothiophen-2-yl]ethanone Openeye Name: 1-[4-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)benzothiophen-2-yl]ethanone CAS Name: 1-[4-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-benzothiophen-2-yl]ethanone IUPAC Name: 1-[4-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-benzothiophen-2-yl]ethanone Traditional Name: 1-[4-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)benzothiophen-2-yl]ethanone Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C3C=C(SC3=CC=C2)C(=O)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C3C=C(SC3=CC=C2)C(=O)C)O)C(C)(C)C

InChI

InChI=1S/C21H22O2S/c1-12-9-16(20(23)17(10-12)21(3,4)5)14-7-6-8-18-15(14)11-19(24-18)13(2)22/h6-11,23H,1-5H3