[(2R,4S,5R)-2-(oxan-2-yloxy)-5-oxidanyl-4,6-bis(phenylmethoxy)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,4S,5R)-2-(oxan-2-yloxy)-5-oxidanyl-4,6-bis(phenylmethoxy)hexyl] 4-methylbenzenesulfonate Openeye Name: [(2R,4S,5R)-4,6-dibenzyloxy-5-hydroxy-2-tetrahydropyran-2-yloxy-hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,4S,5R)-5-hydroxy-2-(2-oxanyloxy)-4,6-bis(phenylmethoxy)hexyl] ester IUPAC Name: [(2R,4S,5R)-5-hydroxy-2-(oxan-2-yloxy)-4,6-bis(phenylmethoxy)hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,4S,5R)-4,6-dibenzoxy-5-hydroxy-2-tetrahydropyran-2-yloxy-hexyl] ester Formula: C32H40O8S MolecularWeight: 584.7202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC(C(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C[C@@H]([C@@H](COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OC4CCCCO4

InChI

InChI=1S/C32H40O8S/c1-25-15-17-29(18-16-25)41(34,35)39-23-28(40-32-14-8-9-19-37-32)20-31(38-22-27-12-6-3-7-13-27)30(33)24-36-21-26-10-4-2-5-11-26/h2-7,10-13,15-18,28,30-33H,8-9,14,19-24H2,1H3/t28-,30-,31+,32?/m1/s1