2-[2-(3-nitrooxypropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[2-(3-nitrooxypropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[2-(3-nitrooxypropoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[2-(3-nitrooxypropoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[2-(3-nitrooxypropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[2-(3-nitrooxypropoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(S1)C2=CC=CC=C2OCCCO[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(NC(S1)C2=CC=CC=C2OCCCO[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O6S/c16-13(17)10-8-22-12(14-10)9-4-1-2-5-11(9)20-6-3-7-21-15(18)19/h1-2,4-5,10,12,14H,3,6-8H2,(H,16,17)