5-nitro-7-(phenylsulfonyl)heptan-2-one

Systemtic Name: 5-nitro-7-(phenylsulfonyl)heptan-2-one Openeye Name: 7-(benzenesulfonyl)-5-nitro-heptan-2-one CAS Name: 7-(benzenesulfonyl)-5-nitro-2-heptanone IUPAC Name: 7-(benzenesulfonyl)-5-nitroheptan-2-one Traditional Name: 7-besyl-5-nitro-heptan-2-one Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CCS(=O)(=O)C1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC(CCS(=O)(=O)C1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5S/c1-11(15)7-8-12(14(16)17)9-10-20(18,19)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3