1-bis(3,5-ditert-butylphenyl)phosphoryl-2-[2-bis(3,5-ditert-butylphenyl)phosphoryl-5-(bromomethyl)phenyl]-4-methyl-benzene

Systemtic Name: 1-bis(3,5-ditert-butylphenyl)phosphoryl-2-[2-bis(3,5-ditert-butylphenyl)phosphoryl-5-(bromomethyl)phenyl]-4-methyl-benzene Openeye Name: 1-bis(3,5-ditert-butylphenyl)phosphoryl-2-[2-bis(3,5-ditert-butylphenyl)phosphoryl-5-(bromomethyl)phenyl]-4-methyl-benzene CAS Name: 1-bis(3,5-ditert-butylphenyl)phosphoryl-2-[2-bis(3,5-ditert-butylphenyl)phosphoryl-5-(bromomethyl)phenyl]-4-methylbenzene IUPAC Name: 1-bis(3,5-ditert-butylphenyl)phosphoryl-2-[2-bis(3,5-ditert-butylphenyl)phosphoryl-5-(bromomethyl)phenyl]-4-methylbenzene Traditional Name: 1-bis(3,5-ditert-butylphenyl)phosphoryl-2-[2-bis(3,5-ditert-butylphenyl)phosphoryl-5-(bromomethyl)phenyl]-4-methyl-benzene Formula: C70H95BrO2P2 MolecularWeight: 1110.353622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)P(=O)(C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C4=C(C=CC(=C4)CBr)P(=O)(C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)P(=O)(C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C4=C(C=CC(=C4)CBr)P(=O)(C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C70H95BrO2P2/c1-45-26-28-61(74(72,55-36-47(63(2,3)4)32-48(37-55)64(5,6)7)56-38-49(65(8,9)10)33-50(39-56)66(11,12)13)59(30-45)60-31-46(44-71)27-29-62(60)75(73,57-40-51(67(14,15)16)34-52(41-57)68(17,18)19)58-42-53(69(20,21)22)35-54(43-58)70(23,24)25/h26-43H,44H2,1-25H3