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

Systemtic Name: 3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl 3-(2-methyl-4-sulfanylidene-1,3-dithiolan-2-yl)propanoate Openeye Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)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)propyl ester IUPAC Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl 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)propyl ester Formula: C21H28O5S3 MolecularWeight: 456.63902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O5S3/c1-4-6-16-17(8-7-15(14(2)22)20(16)24)25-11-5-12-26-18(23)9-10-21(3)28-13-19(27)29-21/h7-8,24H,4-6,9-13H2,1-3H3