2-[3,5-dinitro-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3,5-dinitro-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3,5-dinitro-2-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3,5-dinitro-2-(2-nitrooxyethoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3,5-dinitro-2-(2-nitrooxyethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3,5-dinitro-2-(2-nitrooxyethoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C12H12N4O10S MolecularWeight: 404.30948

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(S1)C2=CC(=CC(=C2OCCO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(NC(S1)C2=CC(=CC(=C2OCCO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12N4O10S/c17-12(18)8-5-27-11(13-8)7-3-6(14(19)20)4-9(15(21)22)10(7)25-1-2-26-16(23)24/h3-4,8,11,13H,1-2,5H2,(H,17,18)