carbon monoxide; dimethyl(phenyl)phosphane; ethoxycarbonyliminomethanedithiolate; rhenium

Systemtic Name: carbon monoxide; dimethyl(phenyl)phosphane; ethoxycarbonyliminomethanedithiolate; rhenium Openeye Name: carbon monoxide; dimethyl(phenyl)phosphane; ethoxycarbonyliminomethanedithiolate; rhenium CAS Name: carbon monoxide; dimethyl(phenyl)phosphine; ethoxycarbonyliminomethanedithiolate; rhenium IUPAC Name: carbon monoxide; dimethyl(phenyl)phosphane; ethoxycarbonyliminomethanedithiolate; rhenium Traditional Name: carbethoxyiminomethanedithiolate; carbon monoxide; dimethyl(phenyl)phosphine; rhenium Formula: C26H27NO8P2Re2S2-2 MolecularWeight: 979.986002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C([S-])[S-].CP(C)C1=CC=CC=C1.CP(C)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]

Isomeric SMILES

CCOC(=O)N=C([S-])[S-].CP(C)C1=CC=CC=C1.CP(C)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]

InChI

InChI=1S/2C8H11P.C4H7NO2S2.6CO.2Re/c2*1-9(2)8-6-4-3-5-7-8;1-2-7-3(6)5-4(8)9;6*1-2;;/h2*3-7H,1-2H3;2H2,1H3,(H2,5,6,8,9);;;;;;;;/p-2