Synonyms
(Carbethoxymethylene)Triphenylphosphorane; Triphenylcarbethoxymethylenephosphorane
IUPAC Name
ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
Molecular Weight
348.37
Molecular Formula
C22H21O2P
Canonical SMILES
CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3;
InChI
IIHPVYJPDKJYOU-UHFFFAOYSA-N
InChI Key
InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
Boiling Point
490.4±28.0 °C(Predicted)
Melting Point
128-130 °C(lit.)
Purity
97%
Density
1.086 g/cm3
Appearance
Solid
Storage
2-8°C
Complexity
414
Covalently-Bonded Unit Count
1
EC Number
214-151-7
Exact Mass
348.128g/mol
H-Bond Acceptor
2
Heavy Atom Count
25
Isomeric SMILES
CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Monoisotopic Mass
348.128g/mol
NSC Number
72406
Rotatable Bond Count
6
Topological Polar Surface Area
26.3A^2
