1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-butyl-6-methyl-3,5-dinitro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-butyl-6-methyl-3,5-dinitrocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-butyl-6-methyl-3,5-dinitro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC1(C=C(C=C(C1C)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H16N2O6/c1-3-4-5-12(11(15)16)7-9(13(17)18)6-10(8(12)2)14(19)20/h6-8H,3-5H2,1-2H3,(H,15,16)