buta-1,3-diene; chloranyl(sulfanylidenemethylidene)iridium; triphenylphosphane

Systemtic Name: buta-1,3-diene; chloranyl(sulfanylidenemethylidene)iridium; triphenylphosphane Openeye Name: buta-1,3-diene; chloro(thioxomethylene)iridium; triphenylphosphane CAS Name: buta-1,3-diene; chloro(sulfanylidenemethylidene)iridium; triphenylphosphine IUPAC Name: buta-1,3-diene; chloro(sulfanylidenemethylidene)iridium; triphenylphosphane Traditional Name: buta-1,3-diene; chloro(thioxomethylene)iridium; triphenylphosphine Formula: C41H34ClIrP2S-2 MolecularWeight: 848.391182

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]=CC=[CH-].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.C(=S)=[Ir]Cl

Isomeric SMILES

[CH-]=CC=[CH-].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.C(=S)=[Ir]Cl

InChI

InChI=1S/2C18H15P.C4H4.CS.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;1-3-4-2;1-2;;/h2*1-15H;1-4H;;1H;/q;;-2;;;+1/p-1