bis(2-butyl-6-nitro-phenyl) carbonate

Systemtic Name: bis(2-butyl-6-nitro-phenyl) carbonate Openeye Name: bis(2-butyl-6-nitro-phenyl) carbonate CAS Name: carbonic acid bis(2-butyl-6-nitrophenyl) ester IUPAC Name: bis(2-butyl-6-nitrophenyl) carbonate Traditional Name: carbonic acid bis(2-butyl-6-nitro-phenyl) ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)[N+](=O)[O-])OC(=O)OC2=C(C=CC=C2[N+](=O)[O-])CCCC

Isomeric SMILES

CCCCC1=C(C(=CC=C1)[N+](=O)[O-])OC(=O)OC2=C(C=CC=C2[N+](=O)[O-])CCCC

InChI

InChI=1S/C21H24N2O7/c1-3-5-9-15-11-7-13-17(22(25)26)19(15)29-21(24)30-20-16(10-6-4-2)12-8-14-18(20)23(27)28/h7-8,11-14H,3-6,9-10H2,1-2H3