(2-butan-2-yl-4,6-dinitro-phenyl) cyclopentanecarboxylate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) cyclopentanecarboxylate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC(=O)C2CCCC2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC(=O)C2CCCC2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-3-10(2)13-8-12(17(20)21)9-14(18(22)23)15(13)24-16(19)11-6-4-5-7-11/h8-11H,3-7H2,1-2H3