triphenyl-(2-propan-2-yloxycyclohepten-1-yl)phosphanium iodide

Systemtic Name: triphenyl-(2-propan-2-yloxycyclohepten-1-yl)phosphanium iodide Openeye Name: (2-isopropoxycyclohepten-1-yl)-triphenyl-phosphonium iodide CAS Name: triphenyl-(2-propan-2-yloxy-1-cycloheptenyl)phosphonium iodide IUPAC Name: triphenyl-(2-propan-2-yloxycyclohepten-1-yl)phosphanium iodide Traditional Name: (2-isopropoxycyclohepten-1-yl)-triphenyl-phosphonium iodide Formula: C28H32IOP MolecularWeight: 542.431311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(CCCCC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC(C)OC1=C(CCCCC1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C28H32OP.HI/c1-23(2)29-27-21-13-6-14-22-28(27)30(24-15-7-3-8-16-24,25-17-9-4-10-18-25)26-19-11-5-12-20-26;/h3-5,7-12,15-20,23H,6,13-14,21-22H2,1-2H3;1H/q+1;/p-1