1,9-ditert-butyl-3,7-bis(2-methylheptan-2-yl)-11-phenyl-5H-benzo[d][1,3,2]benzodioxaphosphocine

Systemtic Name: 1,9-ditert-butyl-3,7-bis(2-methylheptan-2-yl)-11-phenyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Openeye Name: 1,9-ditert-butyl-3,7-bis(1,1-dimethylhexyl)-11-phenyl-5H-benzo[d][1,3,2]benzodioxaphosphocine CAS Name: 1,9-ditert-butyl-3,7-bis(2-methylheptan-2-yl)-11-phenyl-5H-benzo[d][1,3,2]benzodioxaphosphocin IUPAC Name: 1,9-ditert-butyl-3,7-bis(2-methylheptan-2-yl)-11-phenyl-5H-benzo[d][1,3,2]benzodioxaphosphocine Traditional Name: 1,9-ditert-butyl-3,7-bis(1,1-dimethylhexyl)-11-phenyl-5H-benzo[d][1,3,2]benzodioxaphosphocin Formula: C43H63O2P MolecularWeight: 642.932881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(O2)C4=CC=CC=C4)C(C)(C)C)C(C)(C)CCCCC)C(C)(C)C

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C2C(=C1)CC3=CC(=CC(=C3OP(O2)C4=CC=CC=C4)C(C)(C)C)C(C)(C)CCCCC)C(C)(C)C

InChI

InChI=1S/C43H63O2P/c1-13-15-20-24-42(9,10)33-27-31-26-32-28-34(43(11,12)25-21-16-14-2)30-37(41(6,7)8)39(32)45-46(35-22-18-17-19-23-35)44-38(31)36(29-33)40(3,4)5/h17-19,22-23,27-30H,13-16,20-21,24-26H2,1-12H3