1,2,3,4-tetrakis(2,4-ditert-butylphenyl)biphenylene phosphate

Systemtic Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)biphenylene phosphate Openeye Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)biphenylene phosphate CAS Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)biphenylene phosphate IUPAC Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)biphenylene phosphate Traditional Name: 1,2,3,4-tetrakis(2,4-ditert-butylphenyl)biphenylene phosphate Formula: C68H88O4P-3 MolecularWeight: 1000.397681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=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.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C2=C(C3=C(C4=CC=CC=C43)C(=C2C5=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.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C68H88.H3O4P/c1-61(2,3)41-29-33-47(51(37-41)65(13,14)15)57-55-45-27-25-26-28-46(45)56(55)58(48-34-30-42(62(4,5)6)38-52(48)66(16,17)18)60(50-36-32-44(64(10,11)12)40-54(50)68(22,23)24)59(57)49-35-31-43(63(7,8)9)39-53(49)67(19,20)21;1-5(2,3)4/h25-40H,1-24H3;(H3,1,2,3,4)/p-3