(3,5-ditert-butyl-4-oxidanyl-phenyl)-(5-iodanyl-1H-pyrrol-3-yl)methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(5-iodanyl-1H-pyrrol-3-yl)methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-iodo-1H-pyrrol-3-yl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-iodo-1H-pyrrol-3-yl)methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(5-iodo-1H-pyrrol-3-yl)methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(5-iodo-1H-pyrrol-3-yl)methanone Formula: C19H24INO2 MolecularWeight: 425.30383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CNC(=C2)I

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CNC(=C2)I

InChI

InChI=1S/C19H24INO2/c1-18(2,3)13-7-11(8-14(17(13)23)19(4,5)6)16(22)12-9-15(20)21-10-12/h7-10,21,23H,1-6H3