(4-cyanophenyl) 3-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate

Systemtic Name: (4-cyanophenyl) 3-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate Openeye Name: (4-cyanophenyl) 3-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonate CAS Name: 3-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate Traditional Name: 3-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonic acid (4-cyanophenyl) ester Formula: C20H13ClN2O6S MolecularWeight: 444.84502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C#N)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C#N)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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