N'-[3-[3,4-bis(oxidanyl)phenyl]sulfanylpropyl]-N-octadecyl-ethanediamide

Systemtic Name: N'-[3-[3,4-bis(oxidanyl)phenyl]sulfanylpropyl]-N-octadecyl-ethanediamide Openeye Name: N'-[3-(3,4-dihydroxyphenyl)sulfanylpropyl]-N-octadecyl-oxamide CAS Name: N'-[3-[(3,4-dihydroxyphenyl)thio]propyl]-N-octadecyloxamide IUPAC Name: N'-[3-(3,4-dihydroxyphenyl)sulfanylpropyl]-N-octadecyloxamide Traditional Name: N'-[3-[(3,4-dihydroxyphenyl)thio]propyl]-N-stearyl-oxamide Formula: C29H50N2O4S MolecularWeight: 522.7833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCSC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCSC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C29H50N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-28(34)29(35)31-22-18-23-36-25-19-20-26(32)27(33)24-25/h19-20,24,32-33H,2-18,21-23H2,1H3,(H,30,34)(H,31,35)