N1,N3-dioctadecyl-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-dioctadecyl-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-dioctadecyl-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxamide CAS Name: 3,5-bis[(octadecylamino)-oxomethyl]benzenesulfenic acid hydroperoxy ester IUPAC Name: 1-N,3-N-dioctadecyl-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxamide Traditional Name: N,N'-distearyl-5-(trioxidanylthio)isophthalamide Formula: C44H80N2O5S MolecularWeight: 749.1814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)SOOO)C(=O)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)SOOO)C(=O)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H80N2O5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-45-43(47)40-37-41(39-42(38-40)52-51-50-49)44(48)46-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39,49H,3-36H2,1-2H3,(H,45,47)(H,46,48)