(6-methoxy-2-methyl-3-nitro-phenyl) benzenesulfonate

Systemtic Name: (6-methoxy-2-methyl-3-nitro-phenyl) benzenesulfonate Openeye Name: (6-methoxy-2-methyl-3-nitro-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (6-methoxy-2-methyl-3-nitrophenyl) ester IUPAC Name: (6-methoxy-2-methyl-3-nitrophenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (6-methoxy-2-methyl-3-nitro-phenyl) ester Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OS(=O)(=O)C2=CC=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1OS(=O)(=O)C2=CC=CC=C2)OC)[N+](=O)[O-]

InChI

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