(5-methyl-2-propan-2-yl-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-nitrobenzenesulfonate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5S/c1-11(2)15-9-4-12(3)10-16(15)22-23(20,21)14-7-5-13(6-8-14)17(18)19/h4-11H,1-3H3