[5,6-bis(ethylsulfanyl)-2,3,4-tris(phenylcarbonyloxy)-6-phenylsulfanyl-hexyl] benzoate

Systemtic Name: [5,6-bis(ethylsulfanyl)-2,3,4-tris(phenylcarbonyloxy)-6-phenylsulfanyl-hexyl] benzoate Openeye Name: [2,3,4-tribenzoyloxy-5,6-bis(ethylsulfanyl)-6-phenylsulfanyl-hexyl] benzoate CAS Name: benzoic acid [2,3,4-tribenzoyloxy-5,6-bis(ethylthio)-6-(phenylthio)hexyl] ester IUPAC Name: [2,3,4-tribenzoyloxy-5,6-bis(ethylsulfanyl)-6-phenylsulfanylhexyl] benzoate Traditional Name: benzoic acid [2,3,4-tribenzoyloxy-5,6-bis(ethylthio)-6-(phenylthio)hexyl] ester Formula: C44H42O8S3 MolecularWeight: 794.99448

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(SCC)SC5=CC=CC=C5

Isomeric SMILES

CCSC(C(C(C(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(SCC)SC5=CC=CC=C5

InChI

InChI=1S/C44H42O8S3/c1-3-53-39(44(54-4-2)55-35-28-18-9-19-29-35)38(52-43(48)34-26-16-8-17-27-34)37(51-42(47)33-24-14-7-15-25-33)36(50-41(46)32-22-12-6-13-23-32)30-49-40(45)31-20-10-5-11-21-31/h5-29,36-39,44H,3-4,30H2,1-2H3