4-[(4-bromophenyl)methylsulfonyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[(4-bromophenyl)methylsulfonyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[(4-bromophenyl)methylsulfonyl]-2,6-ditert-butyl-phenol CAS Name: 4-[(4-bromophenyl)methylsulfonyl]-2,6-ditert-butylphenol IUPAC Name: 4-[(4-bromophenyl)methylsulfonyl]-2,6-ditert-butylphenol Traditional Name: 4-(4-bromobenzyl)sulfonyl-2,6-ditert-butyl-phenol Formula: C21H27BrO3S MolecularWeight: 439.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H27BrO3S/c1-20(2,3)17-11-16(12-18(19(17)23)21(4,5)6)26(24,25)13-14-7-9-15(22)10-8-14/h7-12,23H,13H2,1-6H3