calcium phenylmethoxymethanedithioate

Systemtic Name: calcium phenylmethoxymethanedithioate Openeye Name: calcium benzyloxymethanedithioate CAS Name: calcium phenylmethoxymethanedithioate IUPAC Name: calcium phenylmethoxymethanedithioate Traditional Name: calcium benzoxymethanedithioate Formula: C16H14CaO2S4 MolecularWeight: 406.61916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=S)[S-].C1=CC=C(C=C1)COC(=S)[S-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)COC(=S)[S-].C1=CC=C(C=C1)COC(=S)[S-].[Ca+2]

InChI

InChI=1S/2C8H8OS2.Ca/c2*10-8(11)9-6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,10,11);/q;;+2/p-2