dimethyl(phenyl)phosphanium; 3-ethoxy-3-oxidanyl-propanenitrile; ethyl 2-cyanoethanoate; rhenium

Systemtic Name: dimethyl(phenyl)phosphanium; 3-ethoxy-3-oxidanyl-propanenitrile; ethyl 2-cyanoethanoate; rhenium Openeye Name: dimethyl(phenyl)phosphonium; 3-ethoxy-3-hydroxy-propanenitrile; ethyl 2-cyanoacetate; rhenium CAS Name: 2-cyanoacetic acid ethyl ester; dimethyl(phenyl)phosphonium; 3-ethoxy-3-hydroxypropanenitrile; rhenium IUPAC Name: dimethyl(phenyl)phosphanium; 3-ethoxy-3-hydroxypropanenitrile; ethyl 2-cyanoacetate; rhenium Traditional Name: 2-cyanoacetic acid ethyl ester; dimethyl(phenyl)phosphonium; 3-ethoxy-3-hydroxy-propionitrile; rhenium Formula: C42H64N2O4P4Re+4 MolecularWeight: 971.070604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC#N)O.CCOC(=O)CC#N.C[PH+](C)C1=CC=CC=C1.C[PH+](C)C1=CC=CC=C1.C[PH+](C)C1=CC=CC=C1.C[PH+](C)C1=CC=CC=C1.[Re]

Isomeric SMILES

CCOC(CC#N)O.CCOC(=O)CC#N.C[PH+](C)C1=CC=CC=C1.C[PH+](C)C1=CC=CC=C1.C[PH+](C)C1=CC=CC=C1.C[PH+](C)C1=CC=CC=C1.[Re]

InChI

InChI=1S/4C8H11P.C5H9NO2.C5H7NO2.Re/c4*1-9(2)8-6-4-3-5-7-8;2*1-2-8-5(7)3-4-6;/h4*3-7H,1-2H3;5,7H,2-3H2,1H3;2-3H2,1H3;/p+4