[(3R,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-3-yl] benzoate

Systemtic Name: [(3R,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-3-yl] benzoate Openeye Name: [(3R,4R,5S)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-3-yl] benzoate CAS Name: benzoic acid [(3R,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-thiolanyl] ester IUPAC Name: [(3R,4R,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4R,5S)-4-benzoxy-5-(benzoxymethyl)tetrahydrothiophen-3-yl] ester Formula: C26H26O4S MolecularWeight: 434.54724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(S1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](S1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26O4S/c27-26(22-14-8-3-9-15-22)30-23-19-31-24(18-28-16-20-10-4-1-5-11-20)25(23)29-17-21-12-6-2-7-13-21/h1-15,23-25H,16-19H2/t23-,24-,25+/m0/s1