[(2S,3S)-2-oxidanyl-3-(phenylcarbonyloxy)-5,5-bis(phenylmethylsulfanyl)pentyl] benzoate

Systemtic Name: [(2S,3S)-2-oxidanyl-3-(phenylcarbonyloxy)-5,5-bis(phenylmethylsulfanyl)pentyl] benzoate Openeye Name: [(2S,3S)-3-benzoyloxy-5,5-bis(benzylsulfanyl)-2-hydroxy-pentyl] benzoate CAS Name: benzoic acid [(2S,3S)-3-benzoyloxy-2-hydroxy-5,5-bis(phenylmethylthio)pentyl] ester IUPAC Name: [(2S,3S)-3-benzoyloxy-5,5-bis(benzylsulfanyl)-2-hydroxypentyl] benzoate Traditional Name: benzoic acid [(2S,3S)-3-benzoyloxy-5,5-bis(benzylthio)-2-hydroxy-pentyl] ester Formula: C33H32O5S2 MolecularWeight: 572.73418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CC(C(COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC(C[C@@H]([C@H](COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C33H32O5S2/c34-29(22-37-32(35)27-17-9-3-10-18-27)30(38-33(36)28-19-11-4-12-20-28)21-31(39-23-25-13-5-1-6-14-25)40-24-26-15-7-2-8-16-26/h1-20,29-31,34H,21-24H2/t29-,30-/m0/s1