sodium azepane-1-carbodithioate dihydrate

Systemtic Name: sodium azepane-1-carbodithioate dihydrate Openeye Name: sodium azepane-1-carbodithioate dihydrate CAS Name: sodium 1-azepanecarbodithioate dihydrate IUPAC Name: sodium azepane-1-carbodithioate dihydrate Traditional Name: sodium azepane-1-carbodithioate dihydrate Formula: C7H16NNaO2S2 MolecularWeight: 233.32721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)[S-].O.O.[Na+]

Isomeric SMILES

C1CCCN(CC1)C(=S)[S-].O.O.[Na+]

InChI

InChI=1S/C7H13NS2.Na.2H2O/c9-7(10)8-5-3-1-2-4-6-8;;;/h1-6H2,(H,9,10);;2*1H2/q;+1;;/p-1