(4-nitrophenyl) 2,3,5,6-tetramethylbenzenesulfonate

Systemtic Name: (4-nitrophenyl) 2,3,5,6-tetramethylbenzenesulfonate Openeye Name: (4-nitrophenyl) 2,3,5,6-tetramethylbenzenesulfonate CAS Name: 2,3,5,6-tetramethylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,3,5,6-tetramethylbenzenesulfonate Traditional Name: 2,3,5,6-tetramethylbenzenesulfonic acid (4-nitrophenyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H17NO5S/c1-10-9-11(2)13(4)16(12(10)3)23(20,21)22-15-7-5-14(6-8-15)17(18)19/h5-9H,1-4H3