(4-nitrophenyl) 2,6-dimethyl-4-propan-2-yl-benzenesulfonate

Systemtic Name: (4-nitrophenyl) 2,6-dimethyl-4-propan-2-yl-benzenesulfonate Openeye Name: (4-nitrophenyl) 4-isopropyl-2,6-dimethyl-benzenesulfonate CAS Name: 2,6-dimethyl-4-propan-2-ylbenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,6-dimethyl-4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropyl-2,6-dimethyl-benzenesulfonic acid (4-nitrophenyl) ester Formula: C17H19NO5S MolecularWeight: 349.40146

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S/c1-11(2)14-9-12(3)17(13(4)10-14)24(21,22)23-16-7-5-15(6-8-16)18(19)20/h5-11H,1-4H3