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101246-45-1 | Phosphonium, 2-butyne-1,4-diylbis[triphenyl-, diiodide (9CI)
CAS No: 101246-45-1 Catalog No: AG00041V MDL No:
Product Description
Catalog Number:
AG00041V
Chemical Name:
Phosphonium, 2-butyne-1,4-diylbis[triphenyl-, diiodide (9CI)
CAS Number:
101246-45-1
Molecular Formula:
C40H34I2P2
Molecular Weight:
830.4544
IUPAC Name:
triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium;diiodide
InChI:
InChI=1S/C40H34P2.2HI/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-18,21-32H,33-34H2;2*1H/q+2;;/p-2
InChI Key:
DMMBKASQYXFDBR-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)CC#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].[I-]
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
830.023g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
830.468g/mol
Monoisotopic Mass:
830.023g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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