(4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-triphenyl-phosphanium chloride Openeye Name: (4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-triphenyl-phosphonium chloride CAS Name: (4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-triphenylphosphonium chloride IUPAC Name: (4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-triphenylphosphanium chloride Traditional Name: (4,7-dimethyl-1,3-benzoxazol-2-yl)methyl-triphenyl-phosphonium chloride Formula: C28H25ClNOP MolecularWeight: 457.930961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)OC(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)OC(=N2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C28H25NOP.ClH/c1-21-18-19-22(2)28-27(21)29-26(30-28)20-31(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-19H,20H2,1-2H3;1H/q+1;/p-1