(2R,3R,4R,5R,6R,7R)-3,6-bis(phenylmethoxy)-2,7-bis(phenylmethyl)thiepane-4,5-diol

Systemtic Name: (2R,3R,4R,5R,6R,7R)-3,6-bis(phenylmethoxy)-2,7-bis(phenylmethyl)thiepane-4,5-diol Openeye Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-3,6-dibenzyloxy-thiepane-4,5-diol CAS Name: (2R,3R,4R,5R,6R,7R)-3,6-bis(phenylmethoxy)-2,7-bis(phenylmethyl)thiepane-4,5-diol IUPAC Name: (2R,3R,4R,5R,6R,7R)-2,7-dibenzyl-3,6-bis(phenylmethoxy)thiepane-4,5-diol Traditional Name: (2R,3R,4R,5R,6R,7R)-3,6-dibenzoxy-2,7-dibenzyl-thiepane-4,5-diol Formula: C34H36O4S MolecularWeight: 540.71224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(C(C(S2)CC3=CC=CC=C3)OCC4=CC=CC=C4)O)O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@@H]([C@H]([C@H]([C@H](S2)CC3=CC=CC=C3)OCC4=CC=CC=C4)O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H36O4S/c35-31-32(36)34(38-24-28-19-11-4-12-20-28)30(22-26-15-7-2-8-16-26)39-29(21-25-13-5-1-6-14-25)33(31)37-23-27-17-9-3-10-18-27/h1-20,29-36H,21-24H2/t29-,30-,31-,32-,33+,34+/m1/s1