[3-(7-sulfanylheptanoyloxy)-2,2-bis(7-sulfanylheptanoyloxymethyl)propyl] 7-sulfanylheptanoate

Systemtic Name: [3-(7-sulfanylheptanoyloxy)-2,2-bis(7-sulfanylheptanoyloxymethyl)propyl] 7-sulfanylheptanoate Openeye Name: [3-(7-sulfanylheptanoyloxy)-2,2-bis(7-sulfanylheptanoyloxymethyl)propyl] 7-sulfanylheptanoate CAS Name: 7-mercaptoheptanoic acid [3-(7-mercapto-1-oxoheptoxy)-2,2-bis[(7-mercapto-1-oxoheptoxy)methyl]propyl] ester IUPAC Name: [3-(7-sulfanylheptanoyloxy)-2,2-bis(7-sulfanylheptanoyloxymethyl)propyl] 7-sulfanylheptanoate Traditional Name: 7-mercaptoenanthic acid [3-(7-mercaptoheptanoyloxy)-2,2-bis(7-mercaptoheptanoyloxymethyl)propyl] ester Formula: C33H60O8S4 MolecularWeight: 713.0847

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCS)CCC(=O)OCC(COC(=O)CCCCCCS)(COC(=O)CCCCCCS)COC(=O)CCCCCCS

Isomeric SMILES

C(CCCS)CCC(=O)OCC(COC(=O)CCCCCCS)(COC(=O)CCCCCCS)COC(=O)CCCCCCS

InChI

InChI=1S/C33H60O8S4/c34-29(17-9-1-5-13-21-42)38-25-33(26-39-30(35)18-10-2-6-14-22-43,27-40-31(36)19-11-3-7-15-23-44)28-41-32(37)20-12-4-8-16-24-45/h42-45H,1-28H2