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

Systemtic Name: 4-[3-[4-oxidanylidene-3-(3-oxidanyloctyl)-1,3-thiazolidin-2-yl]propyl]benzoic acid Openeye Name: 4-[3-[3-(3-hydroxyoctyl)-4-oxo-thiazolidin-2-yl]propyl]benzoic acid CAS Name: 4-[3-[3-(3-hydroxyoctyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid IUPAC Name: 4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid Traditional Name: 4-[3-[3-(3-hydroxyoctyl)-4-keto-thiazolidin-2-yl]propyl]benzoic acid Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4S/c1-2-3-4-7-18(23)13-14-22-19(24)15-27-20(22)8-5-6-16-9-11-17(12-10-16)21(25)26/h9-12,18,20,23H,2-8,13-15H2,1H3,(H,25,26)