benzenecarbodithioate; oxidanylidenetechnetium-99(3+); sulfanidyl benzenecarbodithioate

Systemtic Name: benzenecarbodithioate; oxidanylidenetechnetium-99(3+); sulfanidyl benzenecarbodithioate Openeye Name: benzenecarbodithioate; oxotechnetium-99(3+); sulfido benzenecarbodithioate CAS Name: benzenecarbodithioate; benzenecarbodithioic acid sulfido ester; oxotechnetium-99(3+) IUPAC Name: benzenecarbodithioate; oxotechnetium-99(3+); sulfido benzenecarbodithioate Traditional Name: benzenecarbodithioate; benzenecarbodithioic acid sulfido ester; ketotechnetium-99(3+) Formula: C21H15OS8Tc MolecularWeight: 638.769455

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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-].O=[Tc+3]

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-].O=[99Tc+3]

InChI

InChI=1S/2C7H6S3.C7H6S2.O.Tc/c2*8-7(10-9)6-4-2-1-3-5-6;8-7(9)6-4-2-1-3-5-6;;/h2*1-5,9H;1-5H,(H,8,9);;/q;;;;+3/p-3/i;;;;1+1