2-oxidanylidenehex-5-en-3-yl 4-nitrobenzenesulfonate

Systemtic Name: 2-oxidanylidenehex-5-en-3-yl 4-nitrobenzenesulfonate Openeye Name: 1-acetylbut-3-enyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-oxohex-5-en-3-yl ester IUPAC Name: 2-oxohex-5-en-3-yl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 1-acetylbut-3-enyl ester Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6S/c1-3-4-12(9(2)14)19-20(17,18)11-7-5-10(6-8-11)13(15)16/h3,5-8,12H,1,4H2,2H3