hydron; tetrakis(2,4-ditert-butylphenyl)phosphanium; phosphate

Systemtic Name: hydron; tetrakis(2,4-ditert-butylphenyl)phosphanium; phosphate Openeye Name: hydron; tetrakis(2,4-ditert-butylphenyl)phosphonium; phosphate CAS Name: hydron; tetrakis(2,4-ditert-butylphenyl)phosphonium; phosphate IUPAC Name: hydron; tetrakis(2,4-ditert-butylphenyl)phosphanium; phosphate Traditional Name: hydron; tetrakis(2,4-ditert-butylphenyl)phosphonium; phosphate Formula: C56H85O4P2- MolecularWeight: 884.219222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H84P.H3O4P/c1-49(2,3)37-25-29-45(41(33-37)53(13,14)15)57(46-30-26-38(50(4,5)6)34-42(46)54(16,17)18,47-31-27-39(51(7,8)9)35-43(47)55(19,20)21)48-32-28-40(52(10,11)12)36-44(48)56(22,23)24;1-5(2,3)4/h25-36H,1-24H3;(H3,1,2,3,4)/q+1;/p-2