[3-(2-sulfanylpropanoyloxy)-2,2-bis(2-sulfanylpropanoyloxymethyl)propyl] 2-ethylhexanoate

Systemtic Name: [3-(2-sulfanylpropanoyloxy)-2,2-bis(2-sulfanylpropanoyloxymethyl)propyl] 2-ethylhexanoate Openeye Name: [3-(2-sulfanylpropanoyloxy)-2,2-bis(2-sulfanylpropanoyloxymethyl)propyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [3-(2-mercapto-1-oxopropoxy)-2,2-bis[(2-mercapto-1-oxopropoxy)methyl]propyl] ester IUPAC Name: [3-(2-sulfanylpropanoyloxy)-2,2-bis(2-sulfanylpropanoyloxymethyl)propyl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [3-(2-mercaptopropanoyloxy)-2,2-bis(2-mercaptopropanoyloxymethyl)propyl] ester Formula: C22H38O8S3 MolecularWeight: 526.72732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O8S3/c1-6-8-9-17(7-2)21(26)30-13-22(10-27-18(23)14(3)31,11-28-19(24)15(4)32)12-29-20(25)16(5)33/h14-17,31-33H,6-13H2,1-5H3