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

Systemtic Name: 3,6-bis(phenylmethoxy)-2-(phenylmethyl)thiepane-4,5-diol Openeye Name: 2-benzyl-3,6-dibenzyloxy-thiepane-4,5-diol CAS Name: 3,6-bis(phenylmethoxy)-2-(phenylmethyl)thiepane-4,5-diol IUPAC Name: 2-benzyl-3,6-bis(phenylmethoxy)thiepane-4,5-diol Traditional Name: 3,6-dibenzoxy-2-benzyl-thiepane-4,5-diol Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C(S1)CC2=CC=CC=C2)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(C(C(C(C(S1)CC2=CC=CC=C2)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30O4S/c28-25-23(30-17-21-12-6-2-7-13-21)19-32-24(16-20-10-4-1-5-11-20)27(26(25)29)31-18-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2