(6S)-6-(dioxidanyl)-4-nitro-6-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6S)-6-(dioxidanyl)-4-nitro-6-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6S)-6-hydroperoxy-6-hydroxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6S)-6-hydroperoxy-6-hydroxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6S)-6-hydroperoxy-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6S)-6-hydroperoxy-6-hydroxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C6H5NO6 MolecularWeight: 187.107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO6/c8-5-2-1-4(7(10)11)3-6(5,9)13-12/h1-3,9,12H/t6-/m0/s1