2-oxidanylidenehex-5-enyl 4-nitrobenzenesulfonate

Systemtic Name: 2-oxidanylidenehex-5-enyl 4-nitrobenzenesulfonate Openeye Name: 2-oxohex-5-enyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-oxohex-5-enyl ester IUPAC Name: 2-oxohex-5-enyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-ketohex-5-enyl ester Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6S/c1-2-3-4-11(14)9-19-20(17,18)12-7-5-10(6-8-12)13(15)16/h2,5-8H,1,3-4,9H2