4-[3-[3-(3-methyl-3-oxidanyl-octyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]propyl]benzoic acid

Systemtic Name: 4-[3-[3-(3-methyl-3-oxidanyl-octyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]propyl]benzoic acid Openeye Name: 4-[3-[3-(3-hydroxy-3-methyl-octyl)-4-oxo-thiazolidin-2-yl]propyl]benzoic acid CAS Name: 4-[3-[3-(3-hydroxy-3-methyloctyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid IUPAC Name: 4-[3-[3-(3-hydroxy-3-methyloctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid Traditional Name: 4-[3-[3-(3-hydroxy-3-methyl-octyl)-4-keto-thiazolidin-2-yl]propyl]benzoic acid Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCCCCC(C)(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C22H33NO4S/c1-3-4-5-13-22(2,27)14-15-23-19(24)16-28-20(23)8-6-7-17-9-11-18(12-10-17)21(25)26/h9-12,20,27H,3-8,13-16H2,1-2H3,(H,25,26)