(4-methylphenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (4-methylphenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: p-tolyl 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid p-tolyl ester Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6S/c1-10-3-6-12(7-4-10)21-22(18,19)14-9-11(15(16)17)5-8-13(14)20-2/h3-9H,1-2H3