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

Systemtic Name: [5,5-bis(2-methylpropylsulfanyl)-2,3,4-tris(phenylcarbonyloxy)pentyl] benzoate Openeye Name: [2,3,4-tribenzoyloxy-5,5-bis(isobutylsulfanyl)pentyl] benzoate CAS Name: benzoic acid [2,3,4-tribenzoyloxy-5,5-bis(2-methylpropylthio)pentyl] ester IUPAC Name: [2,3,4-tribenzoyloxy-5,5-bis(2-methylpropylsulfanyl)pentyl] benzoate Traditional Name: benzoic acid [2,3,4-tribenzoyloxy-5,5-bis(isobutylthio)pentyl] ester Formula: C41H44O8S2 MolecularWeight: 728.91326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC(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)SCC(C)C

Isomeric SMILES

CC(C)CSC(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)SCC(C)C

InChI

InChI=1S/C41H44O8S2/c1-28(2)26-50-41(51-27-29(3)4)36(49-40(45)33-23-15-8-16-24-33)35(48-39(44)32-21-13-7-14-22-32)34(47-38(43)31-19-11-6-12-20-31)25-46-37(42)30-17-9-5-10-18-30/h5-24,28-29,34-36,41H,25-27H2,1-4H3