S-tert-butyl 2-[(4R,5S,6R)-2,2-dimethyl-6-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]ethanethioate

Systemtic Name: S-tert-butyl 2-[(4R,5S,6R)-2,2-dimethyl-6-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]ethanethioate Openeye Name: S-tert-butyl 2-[(4R,5S,6R)-5-benzyloxy-2,2-dimethyl-6-phenyl-1,3-dioxan-4-yl]ethanethioate CAS Name: 2-[(4R,5S,6R)-2,2-dimethyl-6-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]ethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-[(4R,5S,6R)-2,2-dimethyl-6-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]ethanethioate Traditional Name: 2-[(4R,5S,6R)-5-benzoxy-2,2-dimethyl-6-phenyl-1,3-dioxan-4-yl]ethanethioic acid S-tert-butyl ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(C(O1)C2=CC=CC=C2)OCC3=CC=CC=C3)CC(=O)SC(C)(C)C)C

Isomeric SMILES

CC1(O[C@@H]([C@@H]([C@H](O1)C2=CC=CC=C2)OCC3=CC=CC=C3)CC(=O)SC(C)(C)C)C

InChI

InChI=1S/C25H32O4S/c1-24(2,3)30-21(26)16-20-23(27-17-18-12-8-6-9-13-18)22(29-25(4,5)28-20)19-14-10-7-11-15-19/h6-15,20,22-23H,16-17H2,1-5H3/t20-,22-,23+/m1/s1