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

Systemtic Name: calcium N-butyl-N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamodithioate Openeye Name: calcium N-butyl-N-(3-methyl-1,1-dioxo-thiolan-3-yl)carbamodithioate CAS Name: calcium N-butyl-N-(3-methyl-1,1-dioxo-3-thiolanyl)carbamodithioate IUPAC Name: calcium N-butyl-N-(3-methyl-1,1-dioxothiolan-3-yl)carbamodithioate Traditional Name: calcium N-butyl-N-(1,1-diketo-3-methyl-thiolan-3-yl)carbamodithioate Formula: C20H36CaN2O4S6 MolecularWeight: 600.97884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=S)[S-])C1(CCS(=O)(=O)C1)C.CCCCN(C(=S)[S-])C1(CCS(=O)(=O)C1)C.[Ca+2]

Isomeric SMILES

CCCCN(C(=S)[S-])C1(CCS(=O)(=O)C1)C.CCCCN(C(=S)[S-])C1(CCS(=O)(=O)C1)C.[Ca+2]

InChI

InChI=1S/2C10H19NO2S3.Ca/c2*1-3-4-6-11(9(14)15)10(2)5-7-16(12,13)8-10;/h2*3-8H2,1-2H3,(H,14,15);/q;;+2/p-2