bromanyl-[(4-methylphenyl)methylidyne]tungsten; carbon monoxide; triphenylphosphane

Systemtic Name: bromanyl-[(4-methylphenyl)methylidyne]tungsten; carbon monoxide; triphenylphosphane Openeye Name: bromo(p-tolylmethylidyne)tungsten; carbon monoxide; triphenylphosphane CAS Name: bromo-[(4-methylphenyl)methylidyne]tungsten; carbon monoxide; triphenylphosphine IUPAC Name: bromo-[(4-methylphenyl)methylidyne]tungsten; carbon monoxide; triphenylphosphane Traditional Name: bromo-(4-methylbenzylidyne)tungsten; carbon monoxide; triphenylphosphine Formula: C46H37BrO2P2W MolecularWeight: 947.476302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#[W]Br.[C-]#[O+].[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

Isomeric SMILES

CC1=CC=C(C=C1)C#[W]Br.[C-]#[O+].[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

InChI

InChI=1S/2C18H15P.C8H7.2CO.BrH.W/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-3-5-8(2)6-4-7;2*1-2;;/h2*1-15H;3-6H,1H3;;;1H;/q;;;;;;+1/p-1