4-carboxy-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)-3-phenyl-hexan-2-imine oxide

Systemtic Name: 4-carboxy-N,1-bis(oxidanyl)-1,5-bis(oxidanylidene)-3-phenyl-hexan-2-imine oxide Openeye Name: 4-carboxy-N,1-dihydroxy-1,5-dioxo-3-phenyl-hexan-2-imine oxide CAS Name: 4-carboxy-N,1-dihydroxy-1,5-dioxo-3-phenyl-2-hexanimine oxide IUPAC Name: 4-carboxy-N,1-dihydroxy-1,5-dioxo-3-phenylhexan-2-imine oxide Traditional Name: 4-carboxy-N,1-dihydroxy-1,5-diketo-3-phenyl-hexan-2-imine oxide Formula: C13H13NO7 MolecularWeight: 295.24482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO7/c1-7(15)9(12(16)17)10(8-5-3-2-4-6-8)11(13(18)19)14(20)21/h2-6,9-10H,1H3,(H,16,17)(H,18,19)(H,20,21)