(3,5-ditert-butyl-4-oxidanyl-phenyl)-[2,4,5-tris(methylsulfonyl)-1H-pyrrol-3-yl]methanone

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[2,4,5-tris(methylsulfonyl)-1H-pyrrol-3-yl]methanone Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-[2,4,5-tris(methylsulfonyl)-1H-pyrrol-3-yl]methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[2,4,5-tris(methylsulfonyl)-1H-pyrrol-3-yl]methanone IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[2,4,5-tris(methylsulfonyl)-1H-pyrrol-3-yl]methanone Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(2,4,5-trimesyl-1H-pyrrol-3-yl)methanone Formula: C22H31NO8S3 MolecularWeight: 533.67844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(NC(=C2S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(NC(=C2S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C22H31NO8S3/c1-21(2,3)13-10-12(11-14(17(13)25)22(4,5)6)16(24)15-18(32(7,26)27)20(34(9,30)31)23-19(15)33(8,28)29/h10-11,23,25H,1-9H3