calcium N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-prop-2-enyl-carbamodithioate

Systemtic Name: calcium N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-prop-2-enyl-carbamodithioate Openeye Name: calcium N-allyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate CAS Name: calcium N-(1,1-dioxo-3-thiolanyl)-N-prop-2-enylcarbamodithioate IUPAC Name: calcium N-(1,1-dioxothiolan-3-yl)-N-prop-2-enylcarbamodithioate Traditional Name: calcium N-allyl-N-(1,1-diketothiolan-3-yl)carbamodithioate Formula: C16H24CaN2O4S6 MolecularWeight: 540.84076

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCS(=O)(=O)C1)C(=S)[S-].C=CCN(C1CCS(=O)(=O)C1)C(=S)[S-].[Ca+2]

Isomeric SMILES

C=CCN(C1CCS(=O)(=O)C1)C(=S)[S-].C=CCN(C1CCS(=O)(=O)C1)C(=S)[S-].[Ca+2]

InChI

InChI=1S/2C8H13NO2S3.Ca/c2*1-2-4-9(8(12)13)7-3-5-14(10,11)6-7;/h2*2,7H,1,3-6H2,(H,12,13);/q;;+2/p-2