2-(1,2,2-trinitroethyl)hexanedioic acid

Systemtic Name: 2-(1,2,2-trinitroethyl)hexanedioic acid Openeye Name: 2-(1,2,2-trinitroethyl)hexanedioic acid CAS Name: 2-(1,2,2-trinitroethyl)hexanedioic acid IUPAC Name: 2-(1,2,2-trinitroethyl)hexanedioic acid Traditional Name: 2-(1,2,2-trinitroethyl)adipic acid Formula: C8H11N3O10 MolecularWeight: 309.18704

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(C([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O)CC(=O)O

Isomeric SMILES

C(CC(C(C([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O)CC(=O)O

InChI

InChI=1S/C8H11N3O10/c12-5(13)3-1-2-4(8(14)15)6(9(16)17)7(10(18)19)11(20)21/h4,6-7H,1-3H2,(H,12,13)(H,14,15)