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

Systemtic Name: 4-[3-[4-oxidanylidene-3-(3-oxidanyl-4-propoxy-butyl)-1,3-thiazolidin-2-yl]propyl]benzoic acid Openeye Name: 4-[3-[3-(3-hydroxy-4-propoxy-butyl)-4-oxo-thiazolidin-2-yl]propyl]benzoic acid CAS Name: 4-[3-[3-(3-hydroxy-4-propoxybutyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid IUPAC Name: 4-[3-[3-(3-hydroxy-4-propoxybutyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid Traditional Name: 4-[3-[3-(3-hydroxy-4-propoxy-butyl)-4-keto-thiazolidin-2-yl]propyl]benzoic acid Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO5S/c1-2-12-26-13-17(22)10-11-21-18(23)14-27-19(21)5-3-4-15-6-8-16(9-7-15)20(24)25/h6-9,17,19,22H,2-5,10-14H2,1H3,(H,24,25)