(4-methyl-3-nitro-phenyl) benzenesulfonate

Systemtic Name: (4-methyl-3-nitro-phenyl) benzenesulfonate Openeye Name: (4-methyl-3-nitro-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-methyl-3-nitro-phenyl) ester Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5S/c1-10-7-8-11(9-13(10)14(15)16)19-20(17,18)12-5-3-2-4-6-12/h2-9H,1H3