1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine

Systemtic Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,9-ditert-butyl-3,7-dimethyl-11-octadecoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,9-ditert-butyl-3,7-dimethyl-11-stearyloxy-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C41H67O3P MolecularWeight: 638.942641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C)C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP1OC2=C(C=C(C=C2CC3=CC(=CC(=C3O1)C(C)(C)C)C)C)C(C)(C)C

InChI

InChI=1S/C41H67O3P/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-42-45-43-38-34(27-32(2)29-36(38)40(4,5)6)31-35-28-33(3)30-37(39(35)44-45)41(7,8)9/h27-30H,10-26,31H2,1-9H3