(3-methylphenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (3-methylphenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: m-tolyl 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid m-tolyl ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClNO5S/c1-9-3-2-4-10(7-9)20-21(18,19)11-5-6-12(14)13(8-11)15(16)17/h2-8H,1H3