2-(4-nitrophenyl)-3-(12-oxidanyl-12-oxidanylidene-dodecanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)-3-(12-oxidanyl-12-oxidanylidene-dodecanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(12-hydroxy-12-oxo-dodecanoyl)-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-(12-hydroxy-1,12-dioxododecyl)-2-(4-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(12-hydroxy-12-oxododecanoyl)-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(12-hydroxy-12-keto-dodecanoyl)-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7S/c25-19(9-7-5-3-1-2-4-6-8-10-20(26)27)23-18(22(28)29)15-32-21(23)16-11-13-17(14-12-16)24(30)31/h11-14,18,21H,1-10,15H2,(H,26,27)(H,28,29)