2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; 4-methoxybenzenethiolate; oxidanylidenetechnetium-99(3+)

Systemtic Name: 2-[2-diethylaminoethyl(2-sulfanidylethyl)amino]ethanethiolate; 4-methoxybenzenethiolate; oxidanylidenetechnetium-99(3+) Openeye Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 4-methoxybenzenethiolate; oxotechnetium-99(3+) CAS Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 4-methoxybenzenethiolate; oxotechnetium-99(3+) IUPAC Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; 4-methoxybenzenethiolate; oxotechnetium-99(3+) Traditional Name: 2-[2-diethylaminoethyl(2-sulfidoethyl)amino]ethanethiolate; ketotechnetium-99(3+); 4-methoxybenzenethiolate Formula: C17H29N2O2S3Tc MolecularWeight: 488.525615

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CC[S-])CC[S-].COC1=CC=C(C=C1)[S-].O=[Tc+3]

Isomeric SMILES

CCN(CC)CCN(CC[S-])CC[S-].COC1=CC=C(C=C1)[S-].O=[99Tc+3]

InChI

InChI=1S/C10H24N2S2.C7H8OS.O.Tc/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;1-8-6-2-4-7(9)5-3-6;;/h13-14H,3-10H2,1-2H3;2-5,9H,1H3;;/q;;;+3/p-3/i;;;1+1