[3-(6-sulfanylhexanoyloxy)-2,2-bis(6-sulfanylhexanoyloxymethyl)propyl] 6-sulfanylhexanoate

Systemtic Name: [3-(6-sulfanylhexanoyloxy)-2,2-bis(6-sulfanylhexanoyloxymethyl)propyl] 6-sulfanylhexanoate Openeye Name: [3-(6-sulfanylhexanoyloxy)-2,2-bis(6-sulfanylhexanoyloxymethyl)propyl] 6-sulfanylhexanoate CAS Name: 6-mercaptohexanoic acid [3-(6-mercapto-1-oxohexoxy)-2,2-bis[(6-mercapto-1-oxohexoxy)methyl]propyl] ester IUPAC Name: [3-(6-sulfanylhexanoyloxy)-2,2-bis(6-sulfanylhexanoyloxymethyl)propyl] 6-sulfanylhexanoate Traditional Name: 6-mercaptohexanoic acid [3-(6-mercaptohexanoyloxy)-2,2-bis(6-mercaptohexanoyloxymethyl)propyl] ester Formula: C29H52O8S4 MolecularWeight: 656.97838

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)OCC(COC(=O)CCCCCS)(COC(=O)CCCCCS)COC(=O)CCCCCS)CCS

Isomeric SMILES

C(CCC(=O)OCC(COC(=O)CCCCCS)(COC(=O)CCCCCS)COC(=O)CCCCCS)CCS

InChI

InChI=1S/C29H52O8S4/c30-25(13-5-1-9-17-38)34-21-29(22-35-26(31)14-6-2-10-18-39,23-36-27(32)15-7-3-11-19-40)24-37-28(33)16-8-4-12-20-41/h38-41H,1-24H2