The CAS registry number of Benzyltriphenylphosphonium, salt with isooctylphenol (1:1) is 93805-58-4. Its EINECS registry number is 298-541-2. This chemical's molecular formula is C39H43OP and molecular weight is 558.731881. Its IUPAC name is called benzyl(triphenyl)phosphanium; 2-(6-methylheptyl)phenolate.
Physical properties of Benzyltriphenylphosphonium, salt with isooctylphenol (1:1): (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 11; (4)Exact Mass: 558.305153; (5)MonoIsotopic Mass: 558.305153; (6)Topological Polar Surface Area: 23.1; (7)Heavy Atom Count: 41; (8)Formal Charge: 0; (9)Complexity: 500; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCCCC1=CC=CC=C1[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
(2)InChI: InChI=1S/C25H22P.C14H22O/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-12(2)8-4-3-5-9-13-10-6-7-11-14(13)15/h1-20H,21H2;6-7,10-12,15H,3-5,8-9H2,1-2H3/q+1;/p-1
(3)InChIKey: IUHHLTFYKDRCOI-UHFFFAOYSA-M
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