(4-nitrophenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate Openeye Name: (4-nitrophenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate CAS Name: 4-tert-butyl-2,6-dimethylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-tert-butyl-2,6-dimethylbenzenesulfonate Traditional Name: 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid (4-nitrophenyl) ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C18H21NO5S/c1-12-10-14(18(3,4)5)11-13(2)17(12)25(22,23)24-16-8-6-15(7-9-16)19(20)21/h6-11H,1-5H3