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

Systemtic Name: 1,9-ditert-butyl-11-isothiocyanato-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,9-ditert-butyl-11-isothiocyanato-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,9-ditert-butyl-11-isothiocyanato-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,9-ditert-butyl-11-isothiocyanato-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,9-ditert-butyl-11-isothiocyanato-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C24H30NO2PS MolecularWeight: 427.539261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(O2)N=C=S)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(O2)N=C=S)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C24H30NO2PS/c1-15-9-17-13-18-10-16(2)12-20(24(6,7)8)22(18)27-28(25-14-29)26-21(17)19(11-15)23(3,4)5/h9-12H,13H2,1-8H3