[3-nitro-4,4,5,6,6-pentakis(oxidanyl)cyclohex-2-en-1-yl]-phenyl-methanone

Systemtic Name: [3-nitro-4,4,5,6,6-pentakis(oxidanyl)cyclohex-2-en-1-yl]-phenyl-methanone Openeye Name: (4,4,5,6,6-pentahydroxy-3-nitro-cyclohex-2-en-1-yl)-phenyl-methanone CAS Name: (4,4,5,6,6-pentahydroxy-3-nitro-1-cyclohex-2-enyl)-phenylmethanone IUPAC Name: (4,4,5,6,6-pentahydroxy-3-nitrocyclohex-2-en-1-yl)-phenylmethanone Traditional Name: (4,4,5,6,6-pentahydroxy-3-nitro-cyclohex-2-en-1-yl)-phenyl-methanone Formula: C13H13NO8 MolecularWeight: 311.24422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C=C(C(C(C2(O)O)O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=C(C(C(C2(O)O)O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO8/c15-10(7-4-2-1-3-5-7)8-6-9(14(21)22)13(19,20)11(16)12(8,17)18/h1-6,8,11,16-20H