4-[4,6-bis(octadecylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4,6-bis(octadecylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4,6-bis(octadecylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[4,6-bis(octadecylthio)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4,6-bis(octadecylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4,6-bis(stearylthio)-1H-s-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C53H95N3OS2 MolecularWeight: 854.4709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H95N3OS2/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-58-50-54-49(45-43-46(52(3,4)5)48(57)47(44-45)53(6,7)8)55-51(56-50)59-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h43-44H,9-42H2,1-8H3,(H,54,55,56)