MOLI000261

Molecular Formula: C27H43ClN3O3S3Tc+


InChI: InChI=1/C17H22ClNO2S.C10H24N2S2.O.Tc/c1-21-17(20)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)19(13)8-9-22;1-3-11(4-2)5-6-12(7-9-13)8-10-14;;/h2-5,13-16,22H,6-10H2,1H3;13-14H,3-10H2,1-2H3;;/q;;;+4/p-3/t13u,14-,15u,16+;;;/m1.../s1/i;;;1+1/fC17H21ClNO2S.C10H22N2S2.O.Tc/h22h;13-14h;;/q-1;-2;;m/rC17H22ClNO2S.C10H24N2S2.OTc/c1-21-17(20)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)19(13)8-9-22;1-3-11(4-2)5-6-12(7-9-13)8-10-14;1-2/h2-5,13-16,22H,6-10H2,1H3;13-14H,3-10H2,1-2H3;/q;;+4/p-3/t13u,14-,15u,16+;;/m1../s1/i;;2+1/fC17H21ClNO2S.C10H22N2S2.OTc/h22h;13-14h;/q-1;-2;m

InChIKey: InChIKey=KNKGIEXICBPVJU-GJGXZQBNHZ
SMILES: CCN(CC)CCN(CC[S-])CC[S-].COC(=O)C1C2CCC(N2CC[S-])CC1C3=CC=C(C=C3)Cl.O=[Tc+4]

Names:
    MOLI000261
    2-[(2S,3S)-3-(4-chlorophenyl)-2-methoxycarbonyl-8-azabicyclo[3.2.1]oct-8-yl]ethanethiolate; 2-(2-diethylaminoethyl-(2-sulfidoethyl)amino)ethanethiolate; oxotechnetium

Registries:
    PubChem CID 6326828
    PubChem ID 250