benzenecarbodithioate; phenyl-bis(sulfanyl)methanethiolate; technetium-99

Systemtic Name: benzenecarbodithioate; phenyl-bis(sulfanyl)methanethiolate; technetium-99 Openeye Name: benzenecarbodithioate; phenyl-bis(sulfanyl)methanethiolate; technetium-99 CAS Name: benzenecarbodithioate; dimercapto(phenyl)methanethiolate; technetium-99 IUPAC Name: benzenecarbodithioate; phenyl-bis(sulfanyl)methanethiolate; technetium-99 Traditional Name: benzenecarbodithioate; dimercapto(phenyl)methanethiolate; technetium-99 Formula: C21H19S8Tc-3 MolecularWeight: 626.801815

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=S)[S-].C1=CC=C(C=C1)C(S)(S)[S-].C1=CC=C(C=C1)C(S)(S)[S-].[Tc]

Isomeric SMILES

C1=CC=C(C=C1)C(=S)[S-].C1=CC=C(C=C1)C(S)(S)[S-].C1=CC=C(C=C1)C(S)(S)[S-].[99Tc]

InChI

InChI=1S/2C7H8S3.C7H6S2.Tc/c2*8-7(9,10)6-4-2-1-3-5-6;8-7(9)6-4-2-1-3-5-6;/h2*1-5,8-10H;1-5H,(H,8,9);/p-3/i;;;1+1