(2-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (2-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphanium chloride Openeye Name: (2-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphonium chloride CAS Name: (2-ethoxycarbonyl-3-methoxyphenyl)methyl-triphenylphosphonium chloride IUPAC Name: (2-ethoxycarbonyl-3-methoxyphenyl)methyl-triphenylphosphanium chloride Traditional Name: (2-carbethoxy-3-methoxy-benzyl)-triphenyl-phosphonium chloride Formula: C29H28ClO3P MolecularWeight: 490.957581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C29H28O3P.ClH/c1-3-32-29(30)28-23(14-13-21-27(28)31-2)22-33(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26;/h4-21H,3,22H2,1-2H3;1H/q+1;/p-1