(4-methyl-2-nitro-phenyl) 4-chloranylbenzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-chloranylbenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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