Synonyms
Triphenyl-(4-sulfo-butyl)-phosphonium inner salt
IUPAC Name
4-triphenylphosphaniumylbutane-1-sulfonate
Molecular Weight
398.46
Molecular Formula
C22H23O3PS
Canonical SMILES
C1=CC=C(C=C1)[P+](CCCCS(=O)(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23O3PS/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2;
InChI Key
RKQKXPDRWYNUGZ-UHFFFAOYSA-N
Purity
99%
Complexity
465
Covalently-Bonded Unit Count
1
Empirical Formula
C22H23O3PS
Exact Mass
398.11100
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
27
MDL Number
MFCD11656046
Monoisotopic Mass
398.111g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
65.6A^2
