2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-1-(4-nitrophenyl)ethanone Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-(4-nitrophenyl)ethanone Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO4S/c1-21(2,3)17-11-16(12-18(20(17)25)22(4,5)6)28-13-19(24)14-7-9-15(10-8-14)23(26)27/h7-12,25H,13H2,1-6H3