[(2R,3S)-2-[2,2-bis(phenylmethylsulfanyl)ethyl]-3-iodanyl-4-(phenylcarbonyloxy)butyl] benzoate

Systemtic Name: [(2R,3S)-2-[2,2-bis(phenylmethylsulfanyl)ethyl]-3-iodanyl-4-(phenylcarbonyloxy)butyl] benzoate Openeye Name: [(2R,3S)-4-benzoyloxy-2-[2,2-bis(benzylsulfanyl)ethyl]-3-iodo-butyl] benzoate CAS Name: benzoic acid [(2R,3S)-4-benzoyloxy-2-[2,2-bis(phenylmethylthio)ethyl]-3-iodobutyl] ester IUPAC Name: [(2R,3S)-4-benzoyloxy-2-[2,2-bis(benzylsulfanyl)ethyl]-3-iodobutyl] benzoate Traditional Name: benzoic acid [(2R,3S)-4-benzoyloxy-2-[2,2-bis(benzylthio)ethyl]-3-iodo-butyl] ester Formula: C34H33IO4S2 MolecularWeight: 696.65789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H33IO4S2/c35-31(23-39-34(37)29-19-11-4-12-20-29)30(22-38-33(36)28-17-9-3-10-18-28)21-32(40-24-26-13-5-1-6-14-26)41-25-27-15-7-2-8-16-27/h1-20,30-32H,21-25H2/t30-,31-/m1/s1