sodium N1,N3-dioctadecyl-5-oxidanidylperoxysulfanyl-benzene-1,3-dicarboxamide

Systemtic Name: sodium N1,N3-dioctadecyl-5-oxidanidylperoxysulfanyl-benzene-1,3-dicarboxamide Openeye Name: sodium N1,N3-dioctadecyl-5-oxidoperoxysulfanyl-benzene-1,3-dicarboxamide CAS Name: sodium 3,5-bis[(octadecylamino)-oxomethyl]benzenesulfenic acid oxidooxy ester IUPAC Name: sodium 1-N,3-N-dioctadecyl-5-oxidoperoxysulfanylbenzene-1,3-dicarboxamide Traditional Name: sodium 5-(oxidoperoxythio)-N,N'-distearyl-isophthalamide Formula: C44H79N2NaO5S MolecularWeight: 771.16323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)SOO[O-])C(=O)NCCCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC(=C1)SOO[O-])C(=O)NCCCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C44H80N2O5S.Na/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);/q;+1/p-1