5-chlorylsulfanyl-N1,N3-dioctadecyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-chlorylsulfanyl-N1,N3-dioctadecyl-benzene-1,3-dicarboxamide Openeye Name: 5-chlorylsulfanyl-N1,N3-dioctadecyl-benzene-1,3-dicarboxamide CAS Name: 5-(chlorylthio)-N1,N3-dioctadecylbenzene-1,3-dicarboxamide IUPAC Name: 5-chlorylsulfanyl-1-N,3-N-dioctadecylbenzene-1,3-dicarboxamide Traditional Name: 5-(chlorylthio)-N,N'-distearyl-isophthalamide Formula: C44H79ClN2O4S MolecularWeight: 767.62706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H79ClN2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46-43(48)40-37-41(39-42(38-40)52-45(50)51)44(49)47-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39H,3-36H2,1-2H3,(H,46,48)(H,47,49)