(2,6-dinitrophenyl) 4-[2-(2,6-dinitrophenoxy)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: (2,6-dinitrophenyl) 4-[2-(2,6-dinitrophenoxy)-2-oxidanylidene-ethoxy]benzoate Openeye Name: (2,6-dinitrophenyl) 4-[2-(2,6-dinitrophenoxy)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(2,6-dinitrophenoxy)-2-oxoethoxy]benzoic acid (2,6-dinitrophenyl) ester IUPAC Name: (2,6-dinitrophenyl) 4-[2-(2,6-dinitrophenoxy)-2-oxoethoxy]benzoate Traditional Name: 4-[2-(2,6-dinitrophenoxy)-2-keto-ethoxy]benzoic acid (2,6-dinitrophenyl) ester Formula: C21H12N4O13 MolecularWeight: 528.33898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)COC2=CC=C(C=C2)C(=O)OC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)COC2=CC=C(C=C2)C(=O)OC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O13/c26-18(37-19-14(22(28)29)3-1-4-15(19)23(30)31)11-36-13-9-7-12(8-10-13)21(27)38-20-16(24(32)33)5-2-6-17(20)25(34)35/h1-10H,11H2