(1Z,5Z)-cycloocta-1,5-diene; dicyclohexyl-[4-(4-diphenylphosphanyl-2,5-dimethyl-thiophen-3-yl)-2,5-dimethyl-thiophen-3-yl]phosphane; iridium; chloride

Systemtic Name: (1Z,5Z)-cycloocta-1,5-diene; dicyclohexyl-[4-(4-diphenylphosphanyl-2,5-dimethyl-thiophen-3-yl)-2,5-dimethyl-thiophen-3-yl]phosphane; iridium; chloride Openeye Name: (1Z,5Z)-cycloocta-1,5-diene; dicyclohexyl-[4-(4-diphenylphosphanyl-2,5-dimethyl-3-thienyl)-2,5-dimethyl-3-thienyl]phosphane; iridium; chloride CAS Name: (1Z,5Z)-cycloocta-1,5-diene; dicyclohexyl-[4-(4-diphenylphosphino-2,5-dimethyl-3-thiophenyl)-2,5-dimethyl-3-thiophenyl]phosphine; iridium; chloride IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene; dicyclohexyl-[4-(4-diphenylphosphanyl-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophen-3-yl]phosphane; iridium; chloride Traditional Name: (1Z,5Z)-cycloocta-1,5-diene; dicyclohexyl-[4-(4-diphenylphosphino-2,5-dimethyl-3-thienyl)-2,5-dimethyl-3-thienyl]phosphine; iridium; chloride Formula: C44H56ClIrP2S2- MolecularWeight: 938.662962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)C)P(C2CCCCC2)C3CCCCC3)C4=C(SC(=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C)C.C1CC=CCCC=C1.[Cl-].[Ir]

Isomeric SMILES

CC1=C(C(=C(S1)C)P(C2CCCCC2)C3CCCCC3)C4=C(SC(=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C)C.C1/C=C\CC/C=C\C1.[Cl-].[Ir]

InChI

InChI=1S/C36H44P2S2.C8H12.ClH.Ir/c1-25-33(35(27(3)39-25)37(29-17-9-5-10-18-29)30-19-11-6-12-20-30)34-26(2)40-28(4)36(34)38(31-21-13-7-14-22-31)32-23-15-8-16-24-32;1-2-4-6-8-7-5-3-1;;/h5-6,9-12,17-20,31-32H,7-8,13-16,21-24H2,1-4H3;1-2,7-8H,3-6H2;1H;/p-1/b;2-1-,8-7-;;