3-[4-[[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid

Systemtic Name: 3-[4-[[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid Openeye Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid CAS Name: 3-[4-[[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]thio]methyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid IUPAC Name: 3-[4-[[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfanylmethyl]-2-methyl-1,3-dithiolan-2-yl]propanoic acid Traditional Name: 3-[4-[[[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]thio]methyl]-2-methyl-1,3-dithiolan-2-yl]propionic acid Formula: C22H32O6S3 MolecularWeight: 488.68088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSCC2CSC(S2)(C)CCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CSCC2CSC(S2)(C)CCC(=O)O)O

InChI

InChI=1S/C22H32O6S3/c1-4-5-18-19(7-6-17(14(2)23)21(18)27)28-10-15(24)11-29-12-16-13-30-22(3,31-16)9-8-20(25)26/h6-7,15-16,24,27H,4-5,8-13H2,1-3H3,(H,25,26)