barium(2+); N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-carbamodithioate

Systemtic Name: barium(2+); N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-butyl-carbamodithioate Openeye Name: barium(2+); N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate CAS Name: barium(2+); N-butyl-N-(1,1-dioxo-3-thiolanyl)carbamodithioate IUPAC Name: barium(2+); N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate Traditional Name: barium(2+); N-butyl-N-(1,1-diketothiolan-3-yl)carbamodithioate Formula: C18H32BaN2O4S6 MolecularWeight: 670.17468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=S)[S-].CCCCN(C1CCS(=O)(=O)C1)C(=S)[S-].[Ba+2]

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=S)[S-].CCCCN(C1CCS(=O)(=O)C1)C(=S)[S-].[Ba+2]

InChI

InChI=1S/2C9H17NO2S3.Ba/c2*1-2-3-5-10(9(13)14)8-4-6-15(11,12)7-8;/h2*8H,2-7H2,1H3,(H,13,14);/q;;+2/p-2