2,2,2-trinitroethyl 2,2-bis(2,2,2-trinitroethoxy)ethanoate

Systemtic Name: 2,2,2-trinitroethyl 2,2-bis(2,2,2-trinitroethoxy)ethanoate Openeye Name: 2,2,2-trinitroethyl 2,2-bis(2,2,2-trinitroethoxy)acetate CAS Name: 2,2-bis(2,2,2-trinitroethoxy)acetic acid 2,2,2-trinitroethyl ester IUPAC Name: 2,2,2-trinitroethyl 2,2-bis(2,2,2-trinitroethoxy)acetate Traditional Name: 2,2-bis(2,2,2-trinitroethoxy)acetic acid 2,2,2-trinitroethyl ester Formula: C8H7N9O22 MolecularWeight: 581.18828

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Descriptors Computed from Structure

Canonical SMILES:

C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC(C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC(C(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H7N9O22/c18-4(37-1-6(9(19)20,10(21)22)11(23)24)5(38-2-7(12(25)26,13(27)28)14(29)30)39-3-8(15(31)32,16(33)34)17(35)36/h5H,1-3H2