phosphonatooxy-[2,3,4,8-tetrakis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphinate

Systemtic Name: phosphonatooxy-[2,3,4,8-tetrakis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphinate Openeye Name: phosphonatooxy-[2,3,4,8-tetrakis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphinate CAS Name: phosphonatooxy-[2,3,4,8-tetrakis(2,4-ditert-butylphenyl)-1-biphenylenyl]phosphinate IUPAC Name: phosphonatooxy-[2,3,4,8-tetrakis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphinate Traditional Name: phosphato-[2,3,4,8-tetrakis(2,4-ditert-butylphenyl)biphenylen-1-yl]phosphinate Formula: C68H87O6P2-3 MolecularWeight: 1062.362302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2=C3C(=CC=C2)C4=C(C(=C(C(=C34)P(=O)([O-])OP(=O)([O-])[O-])C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)C6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C7=C(C=C(C=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=C3C(=CC=C2)C4=C(C(=C(C(=C34)P(=O)([O-])OP(=O)([O-])[O-])C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)C6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C7=C(C=C(C=C7)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C68H90O6P2/c1-61(2,3)40-28-32-44(50(36-40)65(13,14)15)45-26-25-27-49-54(45)59-57(49)55(46-33-29-41(62(4,5)6)37-51(46)66(16,17)18)56(47-34-30-42(63(7,8)9)38-52(47)67(19,20)21)58(60(59)75(69,70)74-76(71,72)73)48-35-31-43(64(10,11)12)39-53(48)68(22,23)24/h25-39H,1-24H3,(H,69,70)(H2,71,72,73)/p-3