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

Systemtic Name: [(2R,3S,4R,5R,6S)-2-methyl-4-oxidanyl-5-phenylmethoxy-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2R,3S,4R,5R,6S)-5-benzyloxy-4-hydroxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6S)-4-hydroxy-2-methyl-5-phenylmethoxy-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6S)-4-hydroxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6S)-5-benzoxy-4-hydroxy-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C26H26O5S MolecularWeight: 450.54664

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC2=CC=CC=C2)OCC3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OCC3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26O5S/c1-18-23(31-25(28)20-13-7-3-8-14-20)22(27)24(29-17-19-11-5-2-6-12-19)26(30-18)32-21-15-9-4-10-16-21/h2-16,18,22-24,26-27H,17H2,1H3/t18-,22-,23-,24-,26+/m1/s1