(2-cyanophenyl) 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate

Systemtic Name: (2-cyanophenyl) 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate Openeye Name: (2-cyanophenyl) 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonic acid (2-cyanophenyl) ester Formula: C20H13ClN2O6S MolecularWeight: 444.84502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O6S/c21-18-11-16(23(24)25)7-10-20(18)28-13-14-5-8-17(9-6-14)30(26,27)29-19-4-2-1-3-15(19)12-22/h1-11H,13H2