(3-methyl-2,6-dinitro-4-octyl-phenyl) hydrogen carbonate

Systemtic Name: (3-methyl-2,6-dinitro-4-octyl-phenyl) hydrogen carbonate Openeye Name: (3-methyl-2,6-dinitro-4-octyl-phenyl) hydrogen carbonate CAS Name: carbonic acid (3-methyl-2,6-dinitro-4-octylphenyl) ester IUPAC Name: (3-methyl-2,6-dinitro-4-octylphenyl) hydrogen carbonate Traditional Name: carbonic acid (3-methyl-2,6-dinitro-4-octyl-phenyl) ester Formula: C16H22N2O7 MolecularWeight: 354.35508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C(=C1C)[N+](=O)[O-])OC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C(=C1C)[N+](=O)[O-])OC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O7/c1-3-4-5-6-7-8-9-12-10-13(17(21)22)15(25-16(19)20)14(11(12)2)18(23)24/h10H,3-9H2,1-2H3,(H,19,20)