prop-2-enyl 2-cyanoethanoate; triphenyl(prop-2-enyl)phosphanium; bromide

Systemtic Name: prop-2-enyl 2-cyanoethanoate; triphenyl(prop-2-enyl)phosphanium; bromide Openeye Name: allyl 2-cyanoacetate; allyl(triphenyl)phosphonium; bromide CAS Name: 2-cyanoacetic acid prop-2-enyl ester; triphenyl(prop-2-enyl)phosphonium; bromide IUPAC Name: prop-2-enyl 2-cyanoacetate; triphenyl(prop-2-enyl)phosphanium; bromide Traditional Name: allyl(triphenyl)phosphonium; 2-cyanoacetic acid allyl ester; bromide Formula: C27H27BrNO2P MolecularWeight: 508.386541

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)CC#N.C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C=CCOC(=O)CC#N.C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H20P.C6H7NO2.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-2-5-9-6(8)3-4-7;/h2-17H,1,18H2;2H,1,3,5H2;1H/q+1;;/p-1