2-[5,9-diethyl-7-(hydroxymethyl)tridecan-7-yl]-2-oxidanyl-propanedithioamide

Systemtic Name: 2-[5,9-diethyl-7-(hydroxymethyl)tridecan-7-yl]-2-oxidanyl-propanedithioamide Openeye Name: 2-[3-ethyl-1-(2-ethylhexyl)-1-(hydroxymethyl)heptyl]-2-hydroxy-propanedithioamide CAS Name: 2-[5,9-diethyl-7-(hydroxymethyl)tridecan-7-yl]-2-hydroxypropanedithioamide IUPAC Name: 2-[5,9-diethyl-7-(hydroxymethyl)tridecan-7-yl]-2-hydroxypropanedithioamide Traditional Name: 2-[3-ethyl-1-(2-ethylhexyl)-1-methylol-heptyl]-2-hydroxy-propanedithioamide Formula: C21H42N2O2S2 MolecularWeight: 418.70038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CO)C(C(=S)N)(C(=S)N)O

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CO)C(C(=S)N)(C(=S)N)O

InChI

InChI=1S/C21H42N2O2S2/c1-5-9-11-16(7-3)13-20(15-24,14-17(8-4)12-10-6-2)21(25,18(22)26)19(23)27/h16-17,24-25H,5-15H2,1-4H3,(H2,22,26)(H2,23,27)