ethyl 6-[4-[[(2R,3S,4S,5R,6R)-2-ethylsulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxymethyl]phenoxy]hexanoate

Systemtic Name: ethyl 6-[4-[[(2R,3S,4S,5R,6R)-2-ethylsulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxymethyl]phenoxy]hexanoate Openeye Name: ethyl 6-[4-[[(2R,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-ethylsulfanyl-tetrahydropyran-3-yl]oxymethyl]phenoxy]hexanoate CAS Name: 6-[4-[[(2R,3S,4S,5R,6R)-2-(ethylthio)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]oxymethyl]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-[[(2R,3S,4S,5R,6R)-2-ethylsulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxymethyl]phenoxy]hexanoate Traditional Name: 6-[4-[[(2R,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-(ethylthio)tetrahydropyran-3-yl]oxymethyl]phenoxy]hexanoic acid ethyl ester Formula: C44H54O8S MolecularWeight: 742.95976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC=C(C=C1)COC2C(C(C(OC2SCC)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC=C(C=C1)CO[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2SCC)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C44H54O8S/c1-3-47-40(45)23-15-8-16-28-48-38-26-24-37(25-27-38)32-51-43-42(50-31-36-21-13-7-14-22-36)41(49-30-35-19-11-6-12-20-35)39(52-44(43)53-4-2)33-46-29-34-17-9-5-10-18-34/h5-7,9-14,17-22,24-27,39,41-44H,3-4,8,15-16,23,28-33H2,1-2H3/t39-,41-,42+,43+,44-/m1/s1