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

Systemtic Name: methyl 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]-2,4-dimethyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-2,4-dimethyl-5-thioxo-1,3-dithiolan-2-yl]butanoate CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]-2,4-dimethyl-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]-2,4-dimethyl-5-sulfanylidene-1,3-dithiolan-2-yl]butanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]-2,4-dimethyl-5-thioxo-1,3-dithiolan-2-yl]butyric acid methyl ester Formula: C24H34O6S3 MolecularWeight: 514.71816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC2(C(=S)SC(S2)(C)CCCC(=O)OC)C)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CC2(C(=S)SC(S2)(C)CCCC(=O)OC)C)O

InChI

InChI=1S/C24H34O6S3/c1-6-8-18-19(11-10-17(15(2)25)21(18)28)30-14-16(26)13-23(3)22(31)32-24(4,33-23)12-7-9-20(27)29-5/h10-11,16,26,28H,6-9,12-14H2,1-5H3