1,3,7,9-tetratert-butyl-11-octylsulfanyl-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocine

Systemtic Name: 1,3,7,9-tetratert-butyl-11-octylsulfanyl-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,3,7,9-tetratert-butyl-11-octylsulfanyl-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,3,7,9-tetratert-butyl-11-(octylthio)-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,3,7,9-tetratert-butyl-11-octylsulfanyl-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,3,7,9-tetratert-butyl-11-(octylthio)-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C40H65O2PS MolecularWeight: 640.981661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSP1OC2=C(C=C(C=C2C(C3=CC(=CC(=C3O1)C(C)(C)C)C(C)(C)C)CCC)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCSP1OC2=C(C=C(C=C2C(C3=CC(=CC(=C3O1)C(C)(C)C)C(C)(C)C)CCC)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C40H65O2PS/c1-15-17-18-19-20-21-23-44-43-41-35-31(24-28(37(3,4)5)26-33(35)39(9,10)11)30(22-16-2)32-25-29(38(6,7)8)27-34(36(32)42-43)40(12,13)14/h24-27,30H,15-23H2,1-14H3