2,6-ditert-butyl-4-[(4-octa-1,3,5,7-tetraynylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(4-octa-1,3,5,7-tetraynylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-octa-1,3,5,7-tetraynylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(octa-1,3,5,7-tetraynylthio)-6-(octylthio)-1,3,5-triazin-2-yl]amino]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-octa-1,3,5,7-tetraynylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol Traditional Name: 2,6-ditert-butyl-4-[[4-(octa-1,3,5,7-tetraynylthio)-6-(octylthio)-s-triazin-2-yl]amino]phenol Formula: C33H40N4OS2 MolecularWeight: 572.8269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=N1)SC#CC#CC#CC#C)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=N1)SC#CC#CC#CC#C)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C33H40N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h1,23-24,38H,10,12,14,16,18,20,22H2,2-8H3,(H,34,35,36,37)