carbon monoxide; manganese; methylcyclopentane; [(E)-1,4,6-triphenylhex-3-en-1,5-diyn-3-yl]benzene

Systemtic Name: carbon monoxide; manganese; methylcyclopentane; [(E)-1,4,6-triphenylhex-3-en-1,5-diyn-3-yl]benzene Openeye Name: carbon monoxide; [(E)-2,4-diphenyl-1-(2-phenylethynyl)but-1-en-3-ynyl]benzene; manganese; methylcyclopentane CAS Name: carbon monoxide; manganese; methylcyclopentane; [(E)-1,4,6-triphenylhex-3-en-1,5-diyn-3-yl]benzene IUPAC Name: carbon monoxide; manganese; methylcyclopentane; [(E)-1,4,6-triphenylhex-3-en-1,5-diyn-3-yl]benzene Traditional Name: carbon monoxide; [(E)-2,4-diphenyl-1-(2-phenylethynyl)but-1-en-3-ynyl]benzene; manganese; methylcyclopentane Formula: C46H34Mn2O4 MolecularWeight: 760.635858

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C#CC(=C(C#CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Mn].[Mn]

Isomeric SMILES

C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C#C/C(=C(/C#CC2=CC=CC=C2)\C3=CC=CC=C3)/C4=CC=CC=C4.[Mn].[Mn]

InChI

InChI=1S/C30H20.2C6H7.4CO.2Mn/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27)30(28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26;2*1-6-4-2-3-5-6;4*1-2;;/h1-20H;2*2-5H,1H3;;;;;;/b30-29+;;;;;;;;