[2,4-bis(2-methylbutan-2-yl)phenyl] 4-azanyl-3,5-bis(bromanyl)benzenesulfonate

Systemtic Name: [2,4-bis(2-methylbutan-2-yl)phenyl] 4-azanyl-3,5-bis(bromanyl)benzenesulfonate Openeye Name: [2,4-bis(1,1-dimethylpropyl)phenyl] 4-amino-3,5-dibromo-benzenesulfonate CAS Name: 4-amino-3,5-dibromobenzenesulfonic acid [2,4-bis(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [2,4-bis(2-methylbutan-2-yl)phenyl] 4-amino-3,5-dibromobenzenesulfonate Traditional Name: 4-amino-3,5-dibromo-benzenesulfonic acid (2,4-ditert-amylphenyl) ester Formula: C22H29Br2NO3S MolecularWeight: 547.34356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C(=C2)Br)N)Br)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C(=C2)Br)N)Br)C(C)(C)CC

InChI

InChI=1S/C22H29Br2NO3S/c1-7-21(3,4)14-9-10-19(16(11-14)22(5,6)8-2)28-29(26,27)15-12-17(23)20(25)18(24)13-15/h9-13H,7-8,25H2,1-6H3