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

Systemtic Name: (3-chlorophenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (3-chlorophenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (3-chlorophenyl) ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

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