[3,4,5-tri(dodecanoyloxy)-6-(3-methylsulfonylcyclopentyl)sulfanyl-oxan-2-yl]methyl dodecanoate

Systemtic Name: [3,4,5-tri(dodecanoyloxy)-6-(3-methylsulfonylcyclopentyl)sulfanyl-oxan-2-yl]methyl dodecanoate Openeye Name: [3,4,5-tri(dodecanoyloxy)-6-(3-methylsulfonylcyclopentyl)sulfanyl-tetrahydropyran-2-yl]methyl dodecanoate CAS Name: dodecanoic acid [6-[(3-methylsulfonylcyclopentyl)thio]-3,4,5-tris(1-oxododecoxy)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-tri(dodecanoyloxy)-6-(3-methylsulfonylcyclopentyl)sulfanyloxan-2-yl]methyl dodecanoate Traditional Name: lauric acid [3,4,5-trilauroyloxy-6-[(3-mesylcyclopentyl)thio]tetrahydropyran-2-yl]methyl ester Formula: C60H110O11S2 MolecularWeight: 1071.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)SC2CCC(C2)S(=O)(=O)C)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)SC2CCC(C2)S(=O)(=O)C)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C60H110O11S2/c1-6-10-14-18-22-26-30-34-38-42-53(61)67-49-52-57(69-54(62)43-39-35-31-27-23-19-15-11-7-2)58(70-55(63)44-40-36-32-28-24-20-16-12-8-3)59(60(68-52)72-50-46-47-51(48-50)73(5,65)66)71-56(64)45-41-37-33-29-25-21-17-13-9-4/h50-52,57-60H,6-49H2,1-5H3