(4-phenylmethoxyphenyl) 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: (4-phenylmethoxyphenyl) 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: (4-benzyloxyphenyl) 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-nitro-benzenesulfonic acid (4-benzoxyphenyl) ester Formula: C19H14ClNO6S MolecularWeight: 419.83556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClNO6S/c20-18-11-6-15(21(22)23)12-19(18)28(24,25)27-17-9-7-16(8-10-17)26-13-14-4-2-1-3-5-14/h1-12H,13H2