[5-nitro-2,3,3,4,4,5-hexakis(oxidanyl)cyclohexyl]-phenyl-methanone

Systemtic Name: [5-nitro-2,3,3,4,4,5-hexakis(oxidanyl)cyclohexyl]-phenyl-methanone Openeye Name: (2,3,3,4,4,5-hexahydroxy-5-nitro-cyclohexyl)-phenyl-methanone CAS Name: (2,3,3,4,4,5-hexahydroxy-5-nitrocyclohexyl)-phenylmethanone IUPAC Name: (2,3,3,4,4,5-hexahydroxy-5-nitrocyclohexyl)-phenylmethanone Traditional Name: (2,3,3,4,4,5-hexahydroxy-5-nitro-cyclohexyl)-phenyl-methanone Formula: C13H15NO9 MolecularWeight: 329.2595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1([N+](=O)[O-])O)(O)O)(O)O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1C(C(C(C(C1([N+](=O)[O-])O)(O)O)(O)O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15NO9/c15-9(7-4-2-1-3-5-7)8-6-11(17,14(22)23)13(20,21)12(18,19)10(8)16/h1-5,8,10,16-21H,6H2