5-butyl-3-[2-[5-butyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)undecoxy]ethyl]undecanethioic S-acid

Systemtic Name: 5-butyl-3-[2-[5-butyl-3-(2-oxidanylidene-2-sulfanyl-ethyl)undecoxy]ethyl]undecanethioic S-acid Openeye Name: 5-butyl-3-[2-[5-butyl-3-(2-oxo-2-sulfanyl-ethyl)undecoxy]ethyl]undecanethioic S-acid CAS Name: 5-butyl-3-[2-[5-butyl-3-(2-mercapto-2-oxoethyl)undecoxy]ethyl]undecanethioic S-acid IUPAC Name: 5-butyl-3-[2-[5-butyl-3-(2-oxo-2-sulfanylethyl)undecoxy]ethyl]undecanethioic S-acid Traditional Name: 5-butyl-3-[2-[5-butyl-3-(2-keto-2-mercapto-ethyl)undecoxy]ethyl]undecanethioic S-acid Formula: C34H66O3S2 MolecularWeight: 587.01604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H66O3S2/c1-5-9-13-15-19-29(17-11-7-3)25-31(27-33(35)38)21-23-37-24-22-32(28-34(36)39)26-30(18-12-8-4)20-16-14-10-6-2/h29-32H,5-28H2,1-4H3,(H,35,38)(H,36,39)