4,6-dimethyl-3,5-dinitro-5-pentyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 4,6-dimethyl-3,5-dinitro-5-pentyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4,6-dimethyl-3,5-dinitro-5-pentyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4,6-dimethyl-3,5-dinitro-5-pentyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4,6-dimethyl-3,5-dinitro-5-pentylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-amyl-4,6-dimethyl-3,5-dinitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C(C(=CC(=C1C)[N+](=O)[O-])C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1(C(C(=CC(=C1C)[N+](=O)[O-])C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O6/c1-4-5-6-7-14(16(21)22)9(2)11(13(17)18)8-12(10(14)3)15(19)20/h8-9H,4-7H2,1-3H3,(H,17,18)