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

Systemtic Name: methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-2-methyl-5-thioxo-1,3-dithiolan-2-yl]butanoate CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-2-methyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-2-methyl-5-thioxo-1,3-dithiolan-2-yl]butyric acid methyl ester Formula: C23H32O6S3 MolecularWeight: 500.69158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32O6S3/c1-5-7-17-18(10-9-16(14(2)24)21(17)27)29-13-15(25)12-19-22(30)32-23(3,31-19)11-6-8-20(26)28-4/h9-10,15,19,25,27H,5-8,11-13H2,1-4H3