phenyl 3-nitrobenzenesulfonate

Systemtic Name: phenyl 3-nitrobenzenesulfonate Openeye Name: phenyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid phenyl ester Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO5S/c14-13(15)10-5-4-8-12(9-10)19(16,17)18-11-6-2-1-3-7-11/h1-9H