[(1R)-1-[(2S,3S,4S,5S,6S)-6-oxidanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-phenylmethoxy-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R)-1-[(2S,3S,4S,5S,6S)-6-oxidanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-phenylmethoxy-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-2-benzyloxy-1-[(2S,3S,4S,5S,6S)-3,4,5-tribenzyloxy-6-hydroxy-tetrahydropyran-2-yl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-1-[(2S,3S,4S,5S,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)-2-oxanyl]-2-phenylmethoxyethyl] ester IUPAC Name: [(1R)-1-[(2S,3S,4S,5S,6S)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-2-benzoxy-1-[(2S,3S,4S,5S,6S)-3,4,5-tribenzoxy-6-hydroxy-tetrahydropyran-2-yl]ethyl] ester Formula: C42H44O9S MolecularWeight: 724.85836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(COCC2=CC=CC=C2)C3C(C(C(C(O3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](COCC2=CC=CC=C2)[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C42H44O9S/c1-31-22-24-36(25-23-31)52(44,45)51-37(30-46-26-32-14-6-2-7-15-32)38-39(47-27-33-16-8-3-9-17-33)40(48-28-34-18-10-4-11-19-34)41(42(43)50-38)49-29-35-20-12-5-13-21-35/h2-25,37-43H,26-30H2,1H3/t37-,38-,39-,40+,41+,42+/m1/s1