(2S,3R,4R,5R,6R)-2-dodecylsulfanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol

Systemtic Name: (2S,3R,4R,5R,6R)-2-dodecylsulfanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol Openeye Name: (2S,3R,4R,5R,6R)-4,5-dibenzyloxy-2-dodecylsulfanyl-6-methyl-tetrahydropyran-3-ol CAS Name: (2S,3R,4R,5R,6R)-2-(dodecylthio)-6-methyl-4,5-bis(phenylmethoxy)-3-oxanol IUPAC Name: (2S,3R,4R,5R,6R)-2-dodecylsulfanyl-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol Traditional Name: (2S,3R,4R,5R,6R)-4,5-dibenzoxy-2-(laurylthio)-6-methyl-tetrahydropyran-3-ol Formula: C32H48O4S MolecularWeight: 528.78612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1C(C(C(C(O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C32H48O4S/c1-3-4-5-6-7-8-9-10-11-18-23-37-32-29(33)31(35-25-28-21-16-13-17-22-28)30(26(2)36-32)34-24-27-19-14-12-15-20-27/h12-17,19-22,26,29-33H,3-11,18,23-25H2,1-2H3/t26-,29-,30-,31-,32+/m1/s1