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

Systemtic Name: 1,3,7,9-tetratert-butyl-11-octylsulfanyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,3,7,9-tetratert-butyl-11-octylsulfanyl-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,3,7,9-tetratert-butyl-11-(octylthio)-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,3,7,9-tetratert-butyl-11-octylsulfanyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,3,7,9-tetratert-butyl-11-(octylthio)-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C37H59O2PS MolecularWeight: 598.901921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSP1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCSP1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C37H59O2PS/c1-14-15-16-17-18-19-20-41-40-38-32-26(22-28(34(2,3)4)24-30(32)36(8,9)10)21-27-23-29(35(5,6)7)25-31(33(27)39-40)37(11,12)13/h22-25H,14-21H2,1-13H3