[2,4-bis(2-methylbutan-2-yl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate

Systemtic Name: [2,4-bis(2-methylbutan-2-yl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate Openeye Name: [2,4-bis(1,1-dimethylpropyl)phenyl] 3-acetamido-4-methoxy-benzenesulfonate CAS Name: 3-acetamido-4-methoxybenzenesulfonic acid [2,4-bis(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [2,4-bis(2-methylbutan-2-yl)phenyl] 3-acetamido-4-methoxybenzenesulfonate Traditional Name: 3-acetamido-4-methoxy-benzenesulfonic acid (2,4-ditert-amylphenyl) ester Formula: C25H35NO5S MolecularWeight: 461.6141

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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)OC)NC(=O)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C)C(C)(C)CC

InChI

InChI=1S/C25H35NO5S/c1-9-24(4,5)18-11-13-22(20(15-18)25(6,7)10-2)31-32(28,29)19-12-14-23(30-8)21(16-19)26-17(3)27/h11-16H,9-10H2,1-8H3,(H,26,27)