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

Systemtic Name: methyl 3-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]propanoate Openeye Name: methyl 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-2-methyl-5-thioxo-1,3-dithiolan-2-yl]propanoate CAS Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-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)-2-hydroxypropyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]propanoate Traditional Name: 3-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-2-methyl-5-thioxo-1,3-dithiolan-2-yl]propionic acid methyl ester Formula: C22H30O6S3 MolecularWeight: 486.665

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC2C(=S)SC(S2)(C)CCC(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC2C(=S)SC(S2)(C)CCC(=O)OC)O

InChI

InChI=1S/C22H30O6S3/c1-5-6-16-17(8-7-15(13(2)23)20(16)26)28-12-14(24)11-18-21(29)31-22(3,30-18)10-9-19(25)27-4/h7-8,14,18,24,26H,5-6,9-12H2,1-4H3