chloranyl-[(2Z,4E)-1,5-diphenyl-3-sulfanidyl-penta-2,4-dienylidene]iridium; triphenylphosphane

Systemtic Name: chloranyl-[(2Z,4E)-1,5-diphenyl-3-sulfanidyl-penta-2,4-dienylidene]iridium; triphenylphosphane Openeye Name: chloro-[(2Z,4E)-1,5-diphenyl-3-sulfido-penta-2,4-dienylidene]iridium; triphenylphosphane CAS Name: chloro-[(2Z,4E)-1,5-diphenyl-3-sulfidopenta-2,4-dienylidene]iridium; triphenylphosphine IUPAC Name: chloro-[(2Z,4E)-1,5-diphenyl-3-sulfidopenta-2,4-dienylidene]iridium; triphenylphosphane Traditional Name: chloro-[(2Z,4E)-1,5-diphenyl-3-sulfido-penta-2,4-dienylidene]iridium; triphenylphosphine Formula: C53H43ClIrP2S- MolecularWeight: 1001.591042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=CC(=[Ir]Cl)C2=CC=CC=C2)[S-].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

C1=CC=C(C=C1)/C=C/C(=C/C(=[Ir]Cl)C2=CC=CC=C2)/[S-].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.C17H14S.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;18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h2*1-15H;1-11,13-14,18H;1H;/q;;;;+1/p-2/b;;13-11+,17-14-;;