Synonyms
MFCD00031713; 2-Butene-1,4-bis-(triphenylphosphonium chloride); trans-2-Butene-1,4-bis(triphenylphosphonium Chloride); 106423-29-4; (2E)-But-2-ene-1,4-diylbis(triphenylphosphonium) dichloride; 2-Butene-1,4-bis(triphenylphosphonium chloride);
IUPAC Name
triphenyl-[(E)-4-triphenylphosphaniumylbut-2-enyl]phosphanium;dichloride;
Molecular Weight
649.576g/mol
Molecular Formula
C40H36Cl2P2;
Canonical SMILES
C1=CC=C(C=C1)[P+](CC=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-];
InChI
InChI=1S/C40H36P2.2ClH/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;;/h1-32H,33-34H2;2*1H/q+2;;/p-2/b20-19+;;;
InChI Key
OOACLPDZHDFCQP-LLIZZRELSA-L;
Complexity
623
Covalently-Bonded Unit Count
3
Defined Bond Stereocenter Count
1
Exact Mass
648.167g/mol
H-Bond Acceptor
2
Heavy Atom Count
44
Monoisotopic Mass
648.167g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
0A^2
