2-(4-nitrophenyl)-3-(10-oxidanyl-10-oxidanylidene-decanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)-3-(10-oxidanyl-10-oxidanylidene-decanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(10-hydroxy-10-oxo-decanoyl)-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-(10-hydroxy-1,10-dioxodecyl)-2-(4-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(10-hydroxy-10-oxodecanoyl)-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(10-hydroxy-10-keto-decanoyl)-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C20H26N2O7S MolecularWeight: 438.49464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O7S/c23-17(7-5-3-1-2-4-6-8-18(24)25)21-16(20(26)27)13-30-19(21)14-9-11-15(12-10-14)22(28)29/h9-12,16,19H,1-8,13H2,(H,24,25)(H,26,27)