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

Systemtic Name: 4-[4,6-bis(dodecylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4,6-bis(dodecylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[4,6-bis(dodecylthio)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4,6-bis(dodecylsulfanyl)-1H-1,3,5-triazin-2-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4,6-bis(laurylthio)-1H-s-triazin-2-ylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C41H71N3OS2 MolecularWeight: 686.15194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)N1)SCCCCCCCCCCCC

InChI

InChI=1S/C41H71N3OS2/c1-9-11-13-15-17-19-21-23-25-27-29-46-38-42-37(33-31-34(40(3,4)5)36(45)35(32-33)41(6,7)8)43-39(44-38)47-30-28-26-24-22-20-18-16-14-12-10-2/h31-32H,9-30H2,1-8H3,(H,42,43,44)