(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-triphenyl-phosphanium chloride Openeye Name: (6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-triphenyl-phosphonium chloride CAS Name: (6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-triphenylphosphonium chloride IUPAC Name: (6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-triphenylphosphanium chloride Traditional Name: (6-chloro-2-keto-1,3-benzoxazol-3-yl)methyl-triphenyl-phosphonium chloride Formula: C26H20Cl2NO2P MolecularWeight: 480.322261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CN2C3=C(C=C(C=C3)Cl)OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CN2C3=C(C=C(C=C3)Cl)OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H20ClNO2P.ClH/c27-20-16-17-24-25(18-20)30-26(29)28(24)19-31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1