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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC(COC(=O)C(CCCC)S)(COC(=O)C(CCCC)S)COC(=O)C(CCCC)S)S

Isomeric SMILES

CCCCC(C(=O)OCC(COC(=O)C(CCCC)S)(COC(=O)C(CCCC)S)COC(=O)C(CCCC)S)S

InChI

InChI=1S/C29H52O8S4/c1-5-9-13-21(38)25(30)34-17-29(18-35-26(31)22(39)14-10-6-2,19-36-27(32)23(40)15-11-7-3)20-37-28(33)24(41)16-12-8-4/h21-24,38-41H,5-20H2,1-4H3