iodanylpalladium(1+); methyl 2-(cyclohexa-2,4-dien-1-ylideneamino)cyclooctene-1-carboxylate; triphenylphosphanium

Systemtic Name: iodanylpalladium(1+); methyl 2-(cyclohexa-2,4-dien-1-ylideneamino)cyclooctene-1-carboxylate; triphenylphosphanium Openeye Name: iodopalladium(1+); methyl 2-(cyclohexa-2,4-dien-1-ylideneamino)cyclooctene-1-carboxylate; triphenylphosphonium CAS Name: 2-(1-cyclohexa-2,4-dienylideneamino)-1-cyclooctenecarboxylic acid methyl ester; iodopalladium(1+); triphenylphosphonium IUPAC Name: iodopalladium(1+); methyl 2-(cyclohexa-2,4-dien-1-ylideneamino)cyclooctene-1-carboxylate; triphenylphosphanium Traditional Name: 2-(cyclohexa-2,4-dien-1-ylideneamino)cyclooctene-1-carboxylic acid methyl ester; iodopalladium(1+); triphenylphosphonium Formula: C52H52INO2P2Pd+2 MolecularWeight: 1018.246772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCCCCC1)N=C2[CH-]C=CC=C2.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.[Pd+]I

Isomeric SMILES

COC(=O)C1=C(CCCCCC1)N=C2[CH-]C=CC=C2.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.[Pd+]I

InChI

InChI=1S/2C18H15P.C16H20NO2.HI.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-19-16(18)14-11-7-2-3-8-12-15(14)17-13-9-5-4-6-10-13;;/h2*1-15H;4-6,9-10H,2-3,7-8,11-12H2,1H3;1H;/q;;-1;;+2/p+1