isocyanatomethyl-tris(4-methylphenyl)phosphanium iodide

Systemtic Name: isocyanatomethyl-tris(4-methylphenyl)phosphanium iodide Openeye Name: isocyanatomethyl(tris-p-tolyl)phosphonium iodide CAS Name: isocyanatomethyl-tris(4-methylphenyl)phosphonium iodide IUPAC Name: isocyanatomethyl-tris(4-methylphenyl)phosphanium iodide Traditional Name: isocyanatomethyl(tris-p-tolyl)phosphonium iodide Formula: C23H23INOP MolecularWeight: 487.313051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[P+](CN=C=O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)[P+](CN=C=O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[I-]

InChI

InChI=1S/C23H23NOP.HI/c1-18-4-10-21(11-5-18)26(17-24-16-25,22-12-6-19(2)7-13-22)23-14-8-20(3)9-15-23;/h4-15H,17H2,1-3H3;1H/q+1;/p-1