2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)adamantane-1-carboxylic acid

Systemtic Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)adamantane-1-carboxylic acid Openeye Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)adamantane-1-carboxylic acid CAS Name: 2-(4,4-dinitro-1-cyclohexa-2,5-dienyl)-1-adamantanecarboxylic acid IUPAC Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)adamantane-1-carboxylic acid Traditional Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)adamantane-1-carboxylic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C4C=CC(C=C4)([N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3C4C=CC(C=C4)([N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H20N2O6/c20-15(21)16-8-10-5-11(9-16)7-13(6-10)14(16)12-1-3-17(4-2-12,18(22)23)19(24)25/h1-4,10-14H,5-9H2,(H,20,21)