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

Systemtic Name: methyl 3-[2-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-1,3-dithiolan-2-yl]propanoate Openeye Name: methyl 3-[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-1,3-dithiolan-2-yl]propanoate CAS Name: 3-[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-1,3-dithiolan-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-1,3-dithiolan-2-yl]propanoate Traditional Name: 3-[2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-1,3-dithiolan-2-yl]propionic acid methyl ester Formula: C21H30O5S3 MolecularWeight: 458.6549

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2(SCCS2)CCC(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2(SCCS2)CCC(=O)OC

InChI

InChI=1S/C21H30O5S3/c1-4-6-17-18(8-7-16(15(2)22)20(17)24)26-11-5-12-27-21(28-13-14-29-21)10-9-19(23)25-3/h7-8,24H,4-6,9-14H2,1-3H3