phenacyl 4-nitrobenzenesulfonate

Systemtic Name: phenacyl 4-nitrobenzenesulfonate Openeye Name: phenacyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid phenacyl ester IUPAC Name: phenacyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid phenacyl ester Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO6S/c16-14(11-4-2-1-3-5-11)10-21-22(19,20)13-8-6-12(7-9-13)15(17)18/h1-9H,10H2