Synonyms
SCHEMBL2854923; IASRMNRQZIRYHM-UHFFFAOYSA-N; (6-Carboxyhexyl) triphenylphosphonium bromide; 6-carboxyhexyl triphenylphosphonium bromide; 50889-30-0;
IUPAC Name
6-carboxyhexyl(triphenyl)phosphanium;bromide;
Molecular Weight
471.375g/mol
Molecular Formula
C25H28BrO2P;
Canonical SMILES
C1=CC=C(C=C1)[P+](CCCCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-];
InChI
InChI=1S/C25H27O2P.BrH/c26-25(27)20-12-1-2-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19H,1-2,12-13,20-21H2;1H;
InChI Key
IASRMNRQZIRYHM-UHFFFAOYSA-N;
Complexity
400
Covalently-Bonded Unit Count
2
Exact Mass
470.101g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
29
Monoisotopic Mass
470.101g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
37.3A^2
