carbon monoxide; 2-methoxycarbonyl-N-(4-methylphenyl)prop-2-enimidothioate; rhenium

Systemtic Name: carbon monoxide; 2-methoxycarbonyl-N-(4-methylphenyl)prop-2-enimidothioate; rhenium Openeye Name: carbon monoxide; 2-methoxycarbonyl-N-(p-tolyl)prop-2-enimidothioate; rhenium CAS Name: carbon monoxide; 2-methoxycarbonyl-N-(4-methylphenyl)-2-propenimidothioate; rhenium IUPAC Name: carbon monoxide; 2-methoxycarbonyl-N-(4-methylphenyl)prop-2-enimidothioate; rhenium Traditional Name: 2-carbomethoxy-N-(p-tolyl)thioacrylimidate; carbon monoxide; rhenium Formula: C20H11NO10Re2S-2 MolecularWeight: 829.78104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C(=[CH-])C(=O)OC)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]

Isomeric SMILES

CC1=CC=C(C=C1)N=C(C(=[CH-])C(=O)OC)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].[Re]

InChI

InChI=1S/C12H12NO2S.8CO.2Re/c1-8-4-6-10(7-5-8)13-11(16)9(2)12(14)15-3;8*1-2;;/h2,4-7H,1,3H3,(H,13,16);;;;;;;;;;/q-1;;;;;;;;;;/p-1