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

Systemtic Name: (4-nitrophenyl) 2,3,4,5,6-pentamethylbenzenesulfonate Openeye Name: (4-nitrophenyl) 2,3,4,5,6-pentamethylbenzenesulfonate CAS Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,3,4,5,6-pentamethylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid (4-nitrophenyl) ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S/c1-10-11(2)13(4)17(14(5)12(10)3)24(21,22)23-16-8-6-15(7-9-16)18(19)20/h6-9H,1-5H3