but-3-en-2-ylbenzene; carbon monoxide; iridium; triphenylphosphane

Systemtic Name: but-3-en-2-ylbenzene; carbon monoxide; iridium; triphenylphosphane Openeye Name: carbon monoxide; iridium; 1-methylallylbenzene; triphenylphosphane CAS Name: but-3-en-2-ylbenzene; carbon monoxide; iridium; triphenylphosphine IUPAC Name: but-3-en-2-ylbenzene; carbon monoxide; iridium; triphenylphosphane Traditional Name: carbon monoxide; iridium; 1-methylallylbenzene; triphenylphosphine Formula: C47H41IrOP2- MolecularWeight: 875.992362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C1=CC=CC=[C-]1.[C-]#[O+].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.[Ir]

Isomeric SMILES

CC(C=C)C1=CC=CC=[C-]1.[C-]#[O+].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.[Ir]

InChI

InChI=1S/2C18H15P.C10H11.CO.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9(2)10-7-5-4-6-8-10;1-2;/h2*1-15H;3-7,9H,1H2,2H3;;/q;;-1;;