2,3-dihydro-1-benzothiophene; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium; tetraphenylboranuide

Systemtic Name: 2,3-dihydro-1-benzothiophene; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium; tetraphenylboranuide Openeye Name: 2,3-dihydrobenzothiophene; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; iridium; tetraphenylboranuide CAS Name: 2,3-dihydro-1-benzothiophene; [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methylpropyl]-diphenylphosphine; iridium; tetraphenylboranuide IUPAC Name: 2,3-dihydro-1-benzothiophene; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane; iridium; tetraphenylboranuide Traditional Name: 2,3-dihydrobenzothiophene; [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methyl-propyl]-diphenyl-phosphine; iridium; tetraphenylboranuide Formula: C73H67BIrP3S- MolecularWeight: 1272.327363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.C1CSC2=CC=CC=C21.[Ir]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.C1CSC2=CC=CC=C21.[Ir]

InChI

InChI=1S/C41H39P3.C24H20B.C8H8S.Ir/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-4-8-7(3-1)5-6-9-8;/h2-31H,32-34H2,1H3;1-20H;1-4H,5-6H2;/q;-1;;