iodanyl-[2-methoxycarbonyl-1-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-prop-2-enylidene]iridium; triphenylphosphane

Systemtic Name: iodanyl-[2-methoxycarbonyl-1-(3-methoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-prop-2-enylidene]iridium; triphenylphosphane Openeye Name: iodo-[2-methoxycarbonyl-1-(1-methoxycarbonylvinylsulfanyl)prop-2-enylidene]iridium; triphenylphosphane CAS Name: iodo-[2-methoxycarbonyl-1-[(3-methoxy-3-oxoprop-1-en-2-yl)thio]prop-2-enylidene]iridium; triphenylphosphine IUPAC Name: iodo-[2-methoxycarbonyl-1-(3-methoxy-3-oxoprop-1-en-2-yl)sulfanylprop-2-enylidene]iridium; triphenylphosphane Traditional Name: [2-carbomethoxy-1-(1-carbomethoxyvinylthio)prop-2-enylidene]-iodo-iridium; triphenylphosphine Formula: C45H38IIrO4P2S-2 MolecularWeight: 1055.914812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=[CH-])C(=[Ir]I)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(=[Ir]I)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.C9H8O4S.HI.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6(8(10)12-3)5-14-7(2)9(11)13-4;;/h2*1-15H;1-2H,3-4H3;1H;/q;;-2;;+1/p-1