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bis(2,4,6-trinitrophenyl) ethanedioate

bis(2,4,6-trinitrophenyl) ethanedioate

Systemtic Name:bis(2,4,6-trinitrophenyl) ethanedioate
Openeye Name:bis(2,4,6-trinitrophenyl) oxalate
CAS Name:oxalic acid bis(2,4,6-trinitrophenyl) ester
IUPAC Name:bis(2,4,6-trinitrophenyl) oxalate
Traditional Name:oxalic acid dipicryl ester
Formula: C14H4N6O16
MolecularWeight: 512.21216
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H4N6O16/c21-13(35-11-7(17(27)28)1-5(15(23)24)2-8(11)18(29)30)14(22)36-12-9(19(31)32)3-6(16(25)26)4-10(12)20(33)34/h1-4H


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