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

Systemtic Name: 3-[2-(2-carboxyethyl)-4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanylmethyl]-1,3-dithiolan-2-yl]propanoic acid Openeye Name: 3-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanylmethyl]-2-(2-carboxyethyl)-1,3-dithiolan-2-yl]propanoic acid CAS Name: 3-[4-[[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]methyl]-2-(2-carboxyethyl)-1,3-dithiolan-2-yl]propanoic acid IUPAC Name: 3-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanylmethyl]-2-(2-carboxyethyl)-1,3-dithiolan-2-yl]propanoic acid Traditional Name: 3-[4-[[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]methyl]-2-(2-carboxyethyl)-1,3-dithiolan-2-yl]propionic acid Formula: C25H36O7S3 MolecularWeight: 544.74414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSCC2CSC(S2)(CCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSCC2CSC(S2)(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C25H36O7S3/c1-3-6-20-21(8-7-19(17(2)26)24(20)31)32-13-4-5-14-33-15-18-16-34-25(35-18,11-9-22(27)28)12-10-23(29)30/h7-8,18,31H,3-6,9-16H2,1-2H3,(H,27,28)(H,29,30)