[(2Z)-2,4-bis(methoxycarbonyl)-1-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-penta-2,4-dienylidene]-chloranyl-iridium; triphenylphosphane

Systemtic Name: [(2Z)-2,4-bis(methoxycarbonyl)-1-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-penta-2,4-dienylidene]-chloranyl-iridium; triphenylphosphane Openeye Name: [(2Z)-2,4-bis(methoxycarbonyl)-1-(1-methoxycarbonylvinylsulfanyl)penta-2,4-dienylidene]-chloro-iridium; triphenylphosphane CAS Name: [(2Z)-2,4-bis(methoxycarbonyl)-1-[(3-methoxy-3-oxoprop-1-en-2-yl)thio]penta-2,4-dienylidene]-chloroiridium; triphenylphosphine IUPAC Name: [(2Z)-2,4-bis(methoxycarbonyl)-1-(3-methoxy-3-oxoprop-1-en-2-yl)sulfanylpenta-2,4-dienylidene]-chloroiridium; triphenylphosphane Traditional Name: chloro-[(2Z)-2,4-dicarbomethoxy-1-(1-carbomethoxyvinylthio)penta-2,4-dienylidene]iridium; triphenylphosphine Formula: C49H42ClIrO6P2S-2 MolecularWeight: 1048.536702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=[CH-])C=C(C(=O)OC)C(=[Ir]Cl)SC(=[CH-])C(=O)OC.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(=[CH-])/C=C(/C(=O)OC)\C(=[Ir]Cl)SC(=[CH-])C(=O)OC.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/2C18H15P.C13H12O6S.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(11(14)17-3)6-10(13(16)19-5)7-20-9(2)12(15)18-4;;/h2*1-15H;1-2,6H,3-5H3;1H;/q;;-2;;+1/p-1/b;;10-6+;;