1,2-bis(fluoranyl)ethyl (2-butan-2-yl-3,4,5-trinitro-phenyl) carbonate

Systemtic Name: 1,2-bis(fluoranyl)ethyl (2-butan-2-yl-3,4,5-trinitro-phenyl) carbonate Openeye Name: 1,2-difluoroethyl (3,4,5-trinitro-2-sec-butyl-phenyl) carbonate CAS Name: carbonic acid (2-butan-2-yl-3,4,5-trinitrophenyl) 1,2-difluoroethyl ester IUPAC Name: (2-butan-2-yl-3,4,5-trinitrophenyl) 1,2-difluoroethyl carbonate Traditional Name: carbonic acid 1,2-difluoroethyl (3,4,5-trinitro-2-sec-butyl-phenyl) ester Formula: C13H13F2N3O9 MolecularWeight: 393.253826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(CF)F

Isomeric SMILES

CCC(C)C1=C(C=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(CF)F

InChI

InChI=1S/C13H13F2N3O9/c1-3-6(2)10-8(26-13(19)27-9(15)5-14)4-7(16(20)21)11(17(22)23)12(10)18(24)25/h4,6,9H,3,5H2,1-2H3