calcium N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamodithioate

Systemtic Name: calcium N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamodithioate Openeye Name: calcium N-(3-methyl-1,1-dioxo-thiolan-3-yl)carbamodithioate CAS Name: calcium N-(3-methyl-1,1-dioxo-3-thiolanyl)carbamodithioate IUPAC Name: calcium N-(3-methyl-1,1-dioxothiolan-3-yl)carbamodithioate Traditional Name: calcium N-(1,1-diketo-3-methyl-thiolan-3-yl)carbamodithioate Formula: C12H20CaN2O4S6 MolecularWeight: 488.7662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=S)[S-].CC1(CCS(=O)(=O)C1)NC(=S)[S-].[Ca+2]

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=S)[S-].CC1(CCS(=O)(=O)C1)NC(=S)[S-].[Ca+2]

InChI

InChI=1S/2C6H11NO2S3.Ca/c2*1-6(7-5(10)11)2-3-12(8,9)4-6;/h2*2-4H2,1H3,(H2,7,10,11);/q;;+2/p-2