iridium; methanol; 3-(2-phenylethyl)-3a,9a-dihydrofuro[3,2-g]chromen-7-one; triphenylphosphanium

Systemtic Name: iridium; methanol; 3-(2-phenylethyl)-3a,9a-dihydrofuro[3,2-g]chromen-7-one; triphenylphosphanium Openeye Name: iridium; methanol; 3-(2-phenylethyl)-3a,9a-dihydrofuro[3,2-g]chromen-7-one; triphenylphosphonium CAS Name: iridium; methanol; 3-(2-phenylethyl)-3a,9a-dihydrofuro[3,2-g][1]benzopyran-7-one; triphenylphosphonium IUPAC Name: iridium; methanol; 3-(2-phenylethyl)-3a,9a-dihydrofuro[3,2-g]chromen-7-one; triphenylphosphanium Traditional Name: iridium; methanol; 3-(2-phenylethyl)-3a,9a-dihydrofuro[3,2-g]chromen-7-one; triphenylphosphonium Formula: C56H51IrO4P2+ MolecularWeight: 1042.166262

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Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C([C-]=C1)CCC2=COC3C2C=C4C=CC(=O)OC4=C3.[Ir]

Isomeric SMILES

CO.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C([C-]=C1)CCC2=COC3C2C=C4C=CC(=O)OC4=C3.[Ir]

InChI

InChI=1S/C19H15O3.2C18H15P.CH4O.Ir/c20-19-9-8-14-10-16-15(7-6-13-4-2-1-3-5-13)12-21-18(16)11-17(14)22-19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h1-4,8-12,16,18H,6-7H2;2*1-15H;2H,1H3;/q-1;;;;/p+2