(2-chloranyl-4-nitro-phenyl)methyl 4-(phenylsulfonylmethyl)benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 4-(phenylsulfonylmethyl)benzoate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 4-(benzenesulfonylmethyl)benzoate CAS Name: 4-(benzenesulfonylmethyl)benzoic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 4-(benzenesulfonylmethyl)benzoate Traditional Name: 4-(besylmethyl)benzoic acid (2-chloro-4-nitro-benzyl) ester Formula: C21H16ClNO6S MolecularWeight: 445.87284

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16ClNO6S/c22-20-12-18(23(25)26)11-10-17(20)13-29-21(24)16-8-6-15(7-9-16)14-30(27,28)19-4-2-1-3-5-19/h1-12H,13-14H2