5-butyl-3-[8-(5-butyl-1-oxidanylidene-1-sulfanyl-undecan-3-yl)oxyperoxyoctyl]undecanethioic S-acid

Systemtic Name: 5-butyl-3-[8-(5-butyl-1-oxidanylidene-1-sulfanyl-undecan-3-yl)oxyperoxyoctyl]undecanethioic S-acid Openeye Name: 5-butyl-3-[8-[3-butyl-1-(2-oxo-2-sulfanyl-ethyl)nonoxy]peroxyoctyl]undecanethioic S-acid CAS Name: 5-butyl-3-[8-(5-butyl-1-mercapto-1-oxoundecan-3-yl)oxydioxyoctyl]undecanethioic S-acid IUPAC Name: 5-butyl-3-[8-(5-butyl-1-oxo-1-sulfanylundecan-3-yl)oxyperoxyoctyl]undecanethioic S-acid Traditional Name: 5-butyl-3-[8-[3-butyl-1-(2-keto-2-mercapto-ethyl)nonoxy]peroxyoctyl]undecanethioic S-acid Formula: C38H74O5S2 MolecularWeight: 675.12116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CC(CCCCCCCCOOOC(CC(CCCC)CCCCCC)CC(=O)S)CC(=O)S

Isomeric SMILES

CCCCCCC(CCCC)CC(CCCCCCCCOOOC(CC(CCCC)CCCCCC)CC(=O)S)CC(=O)S

InChI

InChI=1S/C38H74O5S2/c1-5-9-13-19-25-33(23-11-7-3)29-35(31-37(39)44)27-21-17-15-16-18-22-28-41-43-42-36(32-38(40)45)30-34(24-12-8-4)26-20-14-10-6-2/h33-36H,5-32H2,1-4H3,(H,39,44)(H,40,45)