2-[2-[[4-(nitrooxymethyl)cyclohexyl]methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[2-[[4-(nitrooxymethyl)cyclohexyl]methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[2-[[4-(nitrooxymethyl)cyclohexyl]methoxy]phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[2-[[4-(nitrooxymethyl)cyclohexyl]methoxy]phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[2-[[4-(nitrooxymethyl)cyclohexyl]methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[2-[[4-(nitrooxymethyl)cyclohexyl]methoxy]phenyl]thiazolidine-4-carboxylic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1COC2=CC=CC=C2C3NC(CS3)C(=O)O)CO[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1COC2=CC=CC=C2C3NC(CS3)C(=O)O)CO[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O6S/c21-18(22)15-11-27-17(19-15)14-3-1-2-4-16(14)25-9-12-5-7-13(8-6-12)10-26-20(23)24/h1-4,12-13,15,17,19H,5-11H2,(H,21,22)