1-(4-bromophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]propan-1-one CAS Name: 1-(4-bromophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]-1-propanone IUPAC Name: 1-(4-bromophenyl)-3-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-3-(2,3,4,5,6-pentamethylbenzyl)sulfonyl-propan-1-one Formula: C21H25BrO3S MolecularWeight: 437.3904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CS(=O)(=O)CCC(=O)C2=CC=C(C=C2)Br)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CS(=O)(=O)CCC(=O)C2=CC=C(C=C2)Br)C)C

InChI

InChI=1S/C21H25BrO3S/c1-13-14(2)16(4)20(17(5)15(13)3)12-26(24,25)11-10-21(23)18-6-8-19(22)9-7-18/h6-9H,10-12H2,1-5H3