(4-chloranyl-3-methyl-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: (4-chloro-3-methyl-phenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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