1,2,3,4-tetrakis(2,4-ditert-butylphenyl)-5-phenyl-benzene phosphate

Systemtic Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)-5-phenyl-benzene phosphate Openeye Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)-5-phenyl-benzene phosphate CAS Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)-5-phenylbenzene phosphate IUPAC Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)-5-phenylbenzene phosphate Traditional Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)-5-phenyl-benzene phosphate Formula: C68H90O4P-3 MolecularWeight: 1002.413561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2=C(C(=C(C(=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)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)C(C)(C)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=C(C(=C(C(=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)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)C(C)(C)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C68H90.H3O4P/c1-61(2,3)44-30-34-48(54(38-44)65(13,14)15)53-42-52(43-28-26-25-27-29-43)58(49-35-31-45(62(4,5)6)39-55(49)66(16,17)18)60(51-37-33-47(64(10,11)12)41-57(51)68(22,23)24)59(53)50-36-32-46(63(7,8)9)40-56(50)67(19,20)21;1-5(2,3)4/h25-42H,1-24H3;(H3,1,2,3,4)/p-3