[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-5-oxidanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] benzoate

Systemtic Name: [(2S,3R,4S,5R,6R)-2-ethylsulfanyl-5-oxidanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5R,6R)-4-benzyloxy-6-(benzyloxymethyl)-2-ethylsulfanyl-5-hydroxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5R,6R)-2-(ethylthio)-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-2-ethylsulfanyl-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5R,6R)-4-benzoxy-6-(benzoxymethyl)-2-(ethylthio)-5-hydroxy-tetrahydropyran-3-yl] ester Formula: C29H32O6S MolecularWeight: 508.62578

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32O6S/c1-2-36-29-27(35-28(31)23-16-10-5-11-17-23)26(33-19-22-14-8-4-9-15-22)25(30)24(34-29)20-32-18-21-12-6-3-7-13-21/h3-17,24-27,29-30H,2,18-20H2,1H3/t24-,25-,26+,27-,29+/m1/s1