[(3S,5S)-6-oxidanylidene-3,5-bis(phenylmethoxy)hexyl] benzoate

Systemtic Name: [(3S,5S)-6-oxidanylidene-3,5-bis(phenylmethoxy)hexyl] benzoate Openeye Name: [(3S,5S)-3,5-dibenzyloxy-6-oxo-hexyl] benzoate CAS Name: benzoic acid [(3S,5S)-6-oxo-3,5-bis(phenylmethoxy)hexyl] ester IUPAC Name: [(3S,5S)-6-oxo-3,5-bis(phenylmethoxy)hexyl] benzoate Traditional Name: benzoic acid [(3S,5S)-3,5-dibenzoxy-6-keto-hexyl] ester Formula: C27H28O5 MolecularWeight: 432.50822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CCOC(=O)C2=CC=CC=C2)CC(C=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CO[C@@H](CCOC(=O)C2=CC=CC=C2)C[C@@H](C=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28O5/c28-19-26(32-21-23-12-6-2-7-13-23)18-25(31-20-22-10-4-1-5-11-22)16-17-30-27(29)24-14-8-3-9-15-24/h1-15,19,25-26H,16-18,20-21H2/t25-,26-/m0/s1