(4-phenylmethoxyphenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (4-phenylmethoxyphenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (4-benzyloxyphenyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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