(2-chloranyl-4-nitro-phenyl)methyl 4-[(phenylmethyl)sulfonylmethyl]benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 4-[(phenylmethyl)sulfonylmethyl]benzoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 4-(benzylsulfonylmethyl)benzoate CAS Name: 4-[(phenylmethyl)sulfonylmethyl]benzoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 4-(benzylsulfonylmethyl)benzoate Traditional Name: 4-(benzylsulfonylmethyl)benzoic acid (2-chloro-4-nitro-benzyl) ester Formula: C22H18ClNO6S MolecularWeight: 459.89942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H18ClNO6S/c23-21-12-20(24(26)27)11-10-19(21)13-30-22(25)18-8-6-17(7-9-18)15-31(28,29)14-16-4-2-1-3-5-16/h1-12H,13-15H2