(3-ethoxycarbonyl-4-methyl-furan-2-yl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (3-ethoxycarbonyl-4-methyl-furan-2-yl)methyl-triphenyl-phosphanium chloride Openeye Name: (3-ethoxycarbonyl-4-methyl-2-furyl)methyl-triphenyl-phosphonium chloride CAS Name: (3-ethoxycarbonyl-4-methyl-2-furanyl)methyl-triphenylphosphonium chloride IUPAC Name: (3-ethoxycarbonyl-4-methylfuran-2-yl)methyl-triphenylphosphanium chloride Traditional Name: (3-carbethoxy-4-methyl-2-furyl)methyl-triphenyl-phosphonium chloride Formula: C27H26ClO3P MolecularWeight: 464.920301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(OC=C1C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H26O3P.ClH/c1-3-29-27(28)26-21(2)19-30-25(26)20-31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-19H,3,20H2,1-2H3;1H/q+1;/p-1