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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC(=CC(=C1OC(=O)OC)[N+](=O)[O-])[N+](=O)[O-].CCCCC(CCC)C1=CC(=CC(=C1OC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(CC)C1=CC(=CC(=C1OC(=O)OC)[N+](=O)[O-])[N+](=O)[O-].CCCCC(CCC)C1=CC(=CC(=C1OC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

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