boron; 5-chloranyl-4-(1-diphenylphosphanylethyl)cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: boron; 5-chloranyl-4-(1-diphenylphosphanylethyl)cyclohexa-1,5-diene-1-carbonitrile Openeye Name: boron; 5-chloro-4-(1-diphenylphosphanylethyl)cyclohexa-1,5-diene-1-carbonitrile CAS Name: boron; 5-chloro-4-(1-diphenylphosphinoethyl)-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: boron; 5-chloro-4-(1-diphenylphosphanylethyl)cyclohexa-1,5-diene-1-carbonitrile Traditional Name: boron; 5-chloro-4-(1-diphenylphosphinoethyl)cyclohexa-1,5-diene-1-carbonitrile Formula: C21H19BClNP MolecularWeight: 362.620021

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Descriptors Computed from Structure

Canonical SMILES:

[B].CC(C1CC=C(C=C1Cl)C#N)P(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

[B].CC(C1CC=C(C=C1Cl)C#N)P(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClNP.B/c1-16(20-13-12-17(15-23)14-21(20)22)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-12,14,16,20H,13H2,1H3;