1-[2-nitro-5-(phenylsulfonyl)phenyl]hexane-1,3,5-trione

Systemtic Name: 1-[2-nitro-5-(phenylsulfonyl)phenyl]hexane-1,3,5-trione Openeye Name: 1-[5-(benzenesulfonyl)-2-nitro-phenyl]hexane-1,3,5-trione CAS Name: 1-[5-(benzenesulfonyl)-2-nitrophenyl]hexane-1,3,5-trione IUPAC Name: 1-[5-(benzenesulfonyl)-2-nitrophenyl]hexane-1,3,5-trione Traditional Name: 1-(5-besyl-2-nitro-phenyl)hexane-1,3,5-trione Formula: C18H15NO7S MolecularWeight: 389.3792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO7S/c1-12(20)9-13(21)10-18(22)16-11-15(7-8-17(16)19(23)24)27(25,26)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3