1,9-ditert-butyl-3,7-dimethyl-11-sulfanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium

Systemtic Name: 1,9-ditert-butyl-3,7-dimethyl-11-sulfanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium Openeye Name: 1,9-ditert-butyl-3,7-dimethyl-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium CAS Name: 1,9-ditert-butyl-3,7-dimethyl-11-sulfanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium IUPAC Name: 1,9-ditert-butyl-3,7-dimethyl-11-sulfanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium Traditional Name: 1,9-ditert-butyl-3,7-dimethyl-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-ium Formula: C23H30O2PS+ MolecularWeight: 401.521861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[P+](=S)O2)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)CC3=CC(=CC(=C3O[P+](=S)O2)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C23H30O2PS/c1-14-9-16-13-17-10-15(2)12-19(23(6,7)8)21(17)25-26(27)24-20(16)18(11-14)22(3,4)5/h9-12H,13H2,1-8H3/q+1