[2-[3-(3-hexylsulfanylpropanoyloxy)-2-methyl-pentan-2-yl]peroxy-2-methyl-pentan-3-yl] 3-hexylsulfanylpropanoate

Systemtic Name: [2-[3-(3-hexylsulfanylpropanoyloxy)-2-methyl-pentan-2-yl]peroxy-2-methyl-pentan-3-yl] 3-hexylsulfanylpropanoate Openeye Name: [1-ethyl-2-[2-(3-hexylsulfanylpropanoyloxy)-1,1-dimethyl-butyl]peroxy-2-methyl-propyl] 3-hexylsulfanylpropanoate CAS Name: 3-(hexylthio)propanoic acid [2-[3-[3-(hexylthio)-1-oxopropoxy]-2-methylpentan-2-yl]dioxy-2-methylpentan-3-yl] ester IUPAC Name: [2-[3-(3-hexylsulfanylpropanoyloxy)-2-methylpentan-2-yl]peroxy-2-methylpentan-3-yl] 3-hexylsulfanylpropanoate Traditional Name: 3-(hexylthio)propionic acid [1-ethyl-2-[2-[3-(hexylthio)propanoyloxy]-1,1-dimethyl-butyl]peroxy-2-methyl-propyl] ester Formula: C30H58O6S2 MolecularWeight: 578.90792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCC(=O)OC(CC)C(C)(C)OOC(C)(C)C(CC)OC(=O)CCSCCCCCC

Isomeric SMILES

CCCCCCSCCC(=O)OC(CC)C(C)(C)OOC(C)(C)C(CC)OC(=O)CCSCCCCCC

InChI

InChI=1S/C30H58O6S2/c1-9-13-15-17-21-37-23-19-27(31)33-25(11-3)29(5,6)35-36-30(7,8)26(12-4)34-28(32)20-24-38-22-18-16-14-10-2/h25-26H,9-24H2,1-8H3