[2,3,4-tris(phenylcarbonyloxy)-5,5-bis(phenylmethylsulfanyl)pentyl] benzoate

Systemtic Name: [2,3,4-tris(phenylcarbonyloxy)-5,5-bis(phenylmethylsulfanyl)pentyl] benzoate Openeye Name: [2,3,4-tribenzoyloxy-5,5-bis(benzylsulfanyl)pentyl] benzoate CAS Name: benzoic acid [2,3,4-tribenzoyloxy-5,5-bis(phenylmethylthio)pentyl] ester IUPAC Name: [2,3,4-tribenzoyloxy-5,5-bis(benzylsulfanyl)pentyl] benzoate Traditional Name: benzoic acid [2,3,4-tribenzoyloxy-5,5-bis(benzylthio)pentyl] ester Formula: C47H40O8S2 MolecularWeight: 796.9457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C(C(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)SCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC(C(C(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)SCC6=CC=CC=C6

InChI

InChI=1S/C47H40O8S2/c48-43(36-23-11-3-12-24-36)52-31-40(53-44(49)37-25-13-4-14-26-37)41(54-45(50)38-27-15-5-16-28-38)42(55-46(51)39-29-17-6-18-30-39)47(56-32-34-19-7-1-8-20-34)57-33-35-21-9-2-10-22-35/h1-30,40-42,47H,31-33H2