1,3,9-tritert-butyl-7-ethyl-11-fluoranyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine

Systemtic Name: 1,3,9-tritert-butyl-7-ethyl-11-fluoranyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,3,9-tritert-butyl-7-ethyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,3,9-tritert-butyl-7-ethyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,3,9-tritert-butyl-7-ethyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,3,9-tritert-butyl-7-ethyl-11-fluoro-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C28H40FO2P MolecularWeight: 458.588164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(O2)F)C(C)(C)C)C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C2C(=C1)C(C3=CC(=CC(=C3OP(O2)F)C(C)(C)C)C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C28H40FO2P/c1-12-18-13-20-17(2)21-15-19(26(3,4)5)16-23(28(9,10)11)25(21)31-32(29)30-24(20)22(14-18)27(6,7)8/h13-17H,12H2,1-11H3