methyl 12-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyldodecanoate

Systemtic Name: methyl 12-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyldodecanoate Openeye Name: methyl 12-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyldodecanoate CAS Name: 12-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]dodecanoic acid methyl ester IUPAC Name: methyl 12-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyldodecanoate Traditional Name: 12-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]lauric acid methyl ester Formula: C27H44O11S MolecularWeight: 576.69666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SCCCCCCCCCCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SCCCCCCCCCCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H44O11S/c1-18(28)34-17-22-24(35-19(2)29)25(36-20(3)30)26(37-21(4)31)27(38-22)39-16-14-12-10-8-6-7-9-11-13-15-23(32)33-5/h22,24-27H,6-17H2,1-5H3