(4-tert-butylphenyl) 4-methoxy-3-nitro-benzenesulfonate

Systemtic Name: (4-tert-butylphenyl) 4-methoxy-3-nitro-benzenesulfonate Openeye Name: (4-tert-butylphenyl) 4-methoxy-3-nitro-benzenesulfonate CAS Name: 4-methoxy-3-nitrobenzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-methoxy-3-nitrobenzenesulfonate Traditional Name: 4-methoxy-3-nitro-benzenesulfonic acid (4-tert-butylphenyl) ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/c1-17(2,3)12-5-7-13(8-6-12)24-25(21,22)14-9-10-16(23-4)15(11-14)18(19)20/h5-11H,1-4H3