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

Systemtic Name: [3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl] 3-(2-methyl-4-sulfanylidene-1,3-dithiolan-2-yl)propanoate Openeye Name: [3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl] 3-(2-methyl-4-thioxo-1,3-dithiolan-2-yl)propanoate CAS Name: 3-(2-methyl-4-sulfanylidene-1,3-dithiolan-2-yl)propanoic acid [3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl] ester IUPAC Name: [3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl] 3-(2-methyl-4-sulfanylidene-1,3-dithiolan-2-yl)propanoate Traditional Name: 3-(2-methyl-4-thioxo-1,3-dithiolan-2-yl)propionic acid [3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl] ester Formula: C21H28O6S3 MolecularWeight: 472.63842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC(=O)CCC2(SCC(=S)S2)C)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC(=O)CCC2(SCC(=S)S2)C)O

InChI

InChI=1S/C21H28O6S3/c1-4-5-16-17(7-6-15(13(2)22)20(16)25)26-10-14(23)11-27-18(24)8-9-21(3)29-12-19(28)30-21/h6-7,14,23,25H,4-5,8-12H2,1-3H3