2-[2-(2,2-dimethyl-3-nitrooxy-propoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[2-(2,2-dimethyl-3-nitrooxy-propoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[2-(2,2-dimethyl-3-nitrooxy-propoxy)phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[2-(2,2-dimethyl-3-nitrooxypropoxy)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[2-(2,2-dimethyl-3-nitrooxypropoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[2-(2,2-dimethyl-3-nitrooxy-propoxy)phenyl]thiazolidine-4-carboxylic acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=CC=C1C2NC(CS2)C(=O)O)CO[N+](=O)[O-]

Isomeric SMILES

CC(C)(COC1=CC=CC=C1C2NC(CS2)C(=O)O)CO[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6S/c1-15(2,9-23-17(20)21)8-22-12-6-4-3-5-10(12)13-16-11(7-24-13)14(18)19/h3-6,11,13,16H,7-9H2,1-2H3,(H,18,19)