(2,6-dimethoxyphenyl) 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate

Systemtic Name: (2,6-dimethoxyphenyl) 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate Openeye Name: (2,6-dimethoxyphenyl) 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonic acid (2,6-dimethoxyphenyl) ester Formula: C21H18ClNO8S MolecularWeight: 479.88752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClNO8S/c1-28-19-4-3-5-20(29-2)21(19)31-32(26,27)16-9-6-14(7-10-16)13-30-18-11-8-15(23(24)25)12-17(18)22/h3-12H,13H2,1-2H3