(2-butan-2-yl-4,6-dinitro-3-propan-2-yl-phenyl) hydrogen carbonate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-3-propan-2-yl-phenyl) hydrogen carbonate Openeye Name: (3-isopropyl-4,6-dinitro-2-sec-butyl-phenyl) hydrogen carbonate CAS Name: carbonic acid (2-butan-2-yl-4,6-dinitro-3-propan-2-ylphenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitro-3-propan-2-ylphenyl) hydrogen carbonate Traditional Name: carbonic acid (3-isopropyl-4,6-dinitro-2-sec-butyl-phenyl) ester Formula: C14H18N2O7 MolecularWeight: 326.30192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7/c1-5-8(4)12-11(7(2)3)9(15(19)20)6-10(16(21)22)13(12)23-14(17)18/h6-8H,5H2,1-4H3,(H,17,18)