(2,6-dinitro-4-octan-3-yl-phenyl) methyl carbonate; (2,6-dinitro-4-octan-4-yl-phenyl) methyl carbonate

Systemtic Name: (2,6-dinitro-4-octan-3-yl-phenyl) methyl carbonate; (2,6-dinitro-4-octan-4-yl-phenyl) methyl carbonate Openeye Name: [2,6-dinitro-4-(1-propylpentyl)phenyl] methyl carbonate; [4-(1-ethylhexyl)-2,6-dinitro-phenyl] methyl carbonate CAS Name: carbonic acid (2,6-dinitro-4-octan-3-ylphenyl) methyl ester; carbonic acid (2,6-dinitro-4-octan-4-ylphenyl) methyl ester IUPAC Name: (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate; (2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate Traditional Name: carbonic acid [2,6-dinitro-4-(1-propylpentyl)phenyl] methyl ester; carbonic acid [4-(1-ethylhexyl)-2,6-dinitro-phenyl] methyl ester Formula: C32H44N4O14 MolecularWeight: 708.71016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)OC)[N+](=O)[O-].CCCCC(CCC)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CC)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)OC)[N+](=O)[O-].CCCCC(CCC)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/2C16H22N2O7/c1-4-6-7-8-11(5-2)12-9-13(17(20)21)15(25-16(19)24-3)14(10-12)18(22)23;1-4-6-8-11(7-5-2)12-9-13(17(20)21)15(25-16(19)24-3)14(10-12)18(22)23/h2*9-11H,4-8H2,1-3H3