N,N-bis(phenylmethyl)prop-2-yn-1-amine; carbon monoxide; cyclopentane; molybdenum

Systemtic Name: N,N-bis(phenylmethyl)prop-2-yn-1-amine; carbon monoxide; cyclopentane; molybdenum Openeye Name: carbon monoxide; cyclopentane; N,N-dibenzylprop-2-yn-1-amine; molybdenum CAS Name: N,N-bis(phenylmethyl)-2-propyn-1-amine; carbon monoxide; cyclopentane; molybdenum IUPAC Name: carbon monoxide; cyclopentane; N,N-dibenzylprop-2-yn-1-amine; molybdenum Traditional Name: carbon monoxide; cyclopentane; dibenzyl(propargyl)amine; molybdenum Formula: C31H27Mo2NO4 MolecularWeight: 669.43038

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC=CC=C1)CC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Mo].[Mo]

Isomeric SMILES

C#CCN(CC1=CC=CC=C1)CC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Mo].[Mo]

InChI

InChI=1S/C17H17N.2C5H5.4CO.2Mo/c1-2-13-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17;2*1-2-4-5-3-1;4*1-2;;/h1,3-12H,13-15H2;2*1-5H;;;;;;