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

Systemtic Name: (4-phenylmethoxyphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-benzyloxyphenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-benzoxyphenyl) ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H17NO6S/c1-15-7-8-17(21(22)23)13-20(15)28(24,25)27-19-11-9-18(10-12-19)26-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3