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

Systemtic Name: [(2R,3S)-2-iodanyl-3-(phenylcarbonyloxy)-5,5-bis(phenylmethylsulfanyl)pentyl] benzoate Openeye Name: [(2R,3S)-3-benzoyloxy-5,5-bis(benzylsulfanyl)-2-iodo-pentyl] benzoate CAS Name: benzoic acid [(2R,3S)-3-benzoyloxy-2-iodo-5,5-bis(phenylmethylthio)pentyl] ester IUPAC Name: [(2R,3S)-3-benzoyloxy-5,5-bis(benzylsulfanyl)-2-iodopentyl] benzoate Traditional Name: benzoic acid [(2R,3S)-3-benzoyloxy-5,5-bis(benzylthio)-2-iodo-pentyl] ester Formula: C33H31IO4S2 MolecularWeight: 682.63131

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H31IO4S2/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/h1-20,29-31H,21-24H2/t29-,30+/m1/s1