methyl 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]propanoate

Systemtic Name: methyl 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]propanoate Openeye Name: methyl 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-methyl-5-thioxo-1,3-dithiolan-2-yl]propanoate CAS Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]propanoate Traditional Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-methyl-5-thioxo-1,3-dithiolan-2-yl]propionic acid methyl ester Formula: C22H30O5S3 MolecularWeight: 470.6656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2C(=S)SC(S2)(C)CCC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC2C(=S)SC(S2)(C)CCC(=O)OC

InChI

InChI=1S/C22H30O5S3/c1-5-7-16-17(10-9-15(14(2)23)20(16)25)27-13-6-8-18-21(28)30-22(3,29-18)12-11-19(24)26-4/h9-10,18,25H,5-8,11-13H2,1-4H3