(4-chloranyl-3-methyl-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-chloro-3-methyl-phenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClNO5S/c1-9-3-4-11(16(17)18)8-14(9)22(19,20)21-12-5-6-13(15)10(2)7-12/h3-8H,1-2H3