Synonyms
Ethyl 2-(triphenyl-phosphoranylidene)butanoate;22592-13-8;SCHEMBL3378909;NBSGNTVNBILPMQ-UHFFFAOYSA-N;MFCD28348381;ZINC135920287;OR315494;ethyl 2-(triphenylphosphoranylidene)butanoate;2-(Triphenylphosphonio)-1-oxo-1-ethoxybutan-2-ide;
IUPAC Name
ethyl 2-(triphenyl-λ5-phosphanylidene)butanoate;
Molecular Weight
376.436g/mol
Molecular Formula
C24H25O2P;
Canonical SMILES
CCC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC;
InChI
InChI=1S/C24H25O2P/c1-3-23(24(25)26-4-2)27(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,3-4H2,1-2H3;
InChI Key
NBSGNTVNBILPMQ-UHFFFAOYSA-N;
Complexity
468
Covalently-Bonded Unit Count
1
Exact Mass
376.159g/mol
H-Bond Acceptor
2
Heavy Atom Count
27
Monoisotopic Mass
376.159g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
26.3A^2
