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

Systemtic Name: 4-[3-[3-(4,4-dimethyl-3-oxidanyl-octyl)-4-oxidanylidene-1,3-thiazolidin-2-yl]propyl]benzoic acid Openeye Name: 4-[3-[3-(3-hydroxy-4,4-dimethyl-octyl)-4-oxo-thiazolidin-2-yl]propyl]benzoic acid CAS Name: 4-[3-[3-(3-hydroxy-4,4-dimethyloctyl)-4-oxo-2-thiazolidinyl]propyl]benzoic acid IUPAC Name: 4-[3-[3-(3-hydroxy-4,4-dimethyloctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid Traditional Name: 4-[3-[3-(3-hydroxy-4,4-dimethyl-octyl)-4-keto-thiazolidin-2-yl]propyl]benzoic acid Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4S/c1-4-5-14-23(2,3)19(25)13-15-24-20(26)16-29-21(24)8-6-7-17-9-11-18(12-10-17)22(27)28/h9-12,19,21,25H,4-8,13-16H2,1-3H3,(H,27,28)