4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,6-diene-1,2,4-triol

Systemtic Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,6-diene-1,2,4-triol Openeye Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,6-diene-1,2,4-triol CAS Name: 4-(4,4-dinitro-1-cyclohexa-2,5-dienyl)cyclohexa-2,6-diene-1,2,4-triol IUPAC Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,6-diene-1,2,4-triol Traditional Name: 4-(4,4-dinitrocyclohexa-2,5-dien-1-yl)cyclohexa-2,6-diene-1,2,4-triol Formula: C12H12N2O7 MolecularWeight: 296.23288

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=CC1(C2C=CC(C=C2)([N+](=O)[O-])[N+](=O)[O-])O)O)O

Isomeric SMILES

C1C=C(C(=CC1(C2C=CC(C=C2)([N+](=O)[O-])[N+](=O)[O-])O)O)O

InChI

InChI=1S/C12H12N2O7/c15-9-3-4-11(17,7-10(9)16)8-1-5-12(6-2-8,13(18)19)14(20)21/h1-3,5-8,15-17H,4H2