bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate

Systemtic Name: bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate Openeye Name: bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate CAS Name: pentanedioic acid bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] ester IUPAC Name: bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate Traditional Name: glutaric acid bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] ester Formula: C21H18N2O12 MolecularWeight: 490.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCCC(=O)OCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCCC(=O)OCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O12/c24-20(30-8-12-4-16-18(34-10-32-16)6-14(12)22(26)27)2-1-3-21(25)31-9-13-5-17-19(35-11-33-17)7-15(13)23(28)29/h4-7H,1-3,8-11H2