CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
CAS: 1099-45-2
Name: ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
SMILES: CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Molecular Processing

Molecular formula
C22H21O2P
Molecular weight
348.38
Exact mass
348.1279
XLogP
3.35
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
107.85

Supplementary Information

InChIKey: IIHPVYJPDKJYOU-UHFFFAOYSA-N
Synonyms
Ethyl (triphenylphosphoranylidene)acetate(Carbethoxymethylene)triphenylphosphorane(Ethoxycarbonylmethylene)triphenylphosphoraneNSC 72406Phosphorane, (carboxymethylene)triphenyl-, ethyl esterEINECS 214-151-7Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester((Ethoxycarbonyl)ethylidene)triphenylphosphorane[(Ethoxycarbonyl)ethylidene]triphenylphosphoraneRefChem:552121Acetic acid, (triphenylphosphoranylidene), ethyl esterPhosphorane, (carboxymethylene)triphenyl, ethyl esterAcetic acid, 2(triphenylphosphoranylidene), ethyl ester214-151-7InChI=1/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,2H2,1H1099-45-2Ethyl 2-(triphenylphosphoranylidene)acetateTriphenylcarbethoxymethylenephosphoraneAcetic acid, (triphenylphosphoranylidene)-, ethyl esterMFCD00009183ethyl (triphenylphosphoranylidene) acetateethyl 2-(triphenyl-lambda5-phosphanylidene)acetateCarbethoxytriphenylphosphonium methylideCarboethoxymethylidenetriphenylphosphoraneEthyl (triphenylphosphoranilidene)acetateCarbethoxymethylidenetriphenylphosphoraneWX75SQL8ZF(Triphenylphosphoranylidene)acetic Acid Ethyl Esterethoxycarbonylmethylenetriphenylphosphorane[(Ethoxycarbonyl)methylene]triphenylphosphorane
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Involved in 642 reactions→

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