2-(3-nitrophenyl)-3-(8-oxidanyl-8-oxidanylidene-octanoyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-(3-nitrophenyl)-3-(8-oxidanyl-8-oxidanylidene-octanoyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(8-hydroxy-8-oxo-octanoyl)-2-(3-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-(8-hydroxy-1,8-dioxooctyl)-2-(3-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-(8-hydroxy-8-oxooctanoyl)-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(8-hydroxy-8-keto-octanoyl)-2-(3-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S/c21-15(8-3-1-2-4-9-16(22)23)19-14(18(24)25)11-28-17(19)12-6-5-7-13(10-12)20(26)27/h5-7,10,14,17H,1-4,8-9,11H2,(H,22,23)(H,24,25)