(2-fluoranyl-2-pentyl-tetradecyl) (2-methyl-3,4-dinitro-phenyl) carbonate

Systemtic Name: (2-fluoranyl-2-pentyl-tetradecyl) (2-methyl-3,4-dinitro-phenyl) carbonate Openeye Name: (2-fluoro-2-pentyl-tetradecyl) (2-methyl-3,4-dinitro-phenyl) carbonate CAS Name: carbonic acid (2-fluoro-2-pentyltetradecyl) (2-methyl-3,4-dinitrophenyl) ester IUPAC Name: (2-fluoro-2-pentyltetradecyl) (2-methyl-3,4-dinitrophenyl) carbonate Traditional Name: carbonic acid (2-amyl-2-fluoro-tetradecyl) (2-methyl-3,4-dinitro-phenyl) ester Formula: C27H43FN2O7 MolecularWeight: 526.637923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCC)(COC(=O)OC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C)F

Isomeric SMILES

CCCCCCCCCCCCC(CCCCC)(COC(=O)OC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C)F

InChI

InChI=1S/C27H43FN2O7/c1-4-6-8-9-10-11-12-13-14-16-20-27(28,19-15-7-5-2)21-36-26(31)37-24-18-17-23(29(32)33)25(22(24)3)30(34)35/h17-18H,4-16,19-21H2,1-3H3