(2-chloranyl-4-nitro-phenyl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3,4-dimethylbenzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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