[4-(2,2-dicyanoethenyl)phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C16H9N3O5S MolecularWeight: 355.32476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C#N)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C(C#N)C#N)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O5S/c17-10-13(11-18)9-12-1-5-15(6-2-12)24-25(22,23)16-7-3-14(4-8-16)19(20)21/h1-9H