(2-chloranyl-4-nitro-phenyl) 4-ethanoylbenzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-ethanoylbenzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 4-acetylbenzenesulfonate CAS Name: 4-acetylbenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 4-acetylbenzenesulfonate Traditional Name: 4-acetylbenzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C14H10ClNO6S MolecularWeight: 355.7503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClNO6S/c1-9(17)10-2-5-12(6-3-10)23(20,21)22-14-7-4-11(16(18)19)8-13(14)15/h2-8H,1H3