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

Systemtic Name: (4-phenylmethoxyphenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (4-benzyloxyphenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-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)S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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