MOLI000258
Molecular Formula:
C25H38ClN2O3S3Tc+
InChI: InChI=1/C17H22ClNO2S.C8H19NS2.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;1-8(2)7-9(3-5-10)4-6-11;;/h2-5,13-16,22H,6-10H2,1H3;8,10-11H,3-7H2,1-2H3;;/q;;;+4/p-3/t13u,14-,15u,16+;;;/m1.../s1/i;;;1+1/fC17H21ClNO2S.C8H17NS2.O.Tc/h22h;10-11h;;/q-1;-2;;m/rC17H22ClNO2S.C8H19NS2.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;1-8(2)7-9(3-5-10)4-6-11;1-2/h2-5,13-16,22H,6-10H2,1H3;8,10-11H,3-7H2,1-2H3;/q;;+4/p-3/t13u,14-,15u,16+;;/m1../s1/i;;2+1/fC17H21ClNO2S.C8H17NS2.OTc/h22h;10-11h;/q-1;-2;m
InChIKey: InChIKey=RBENZJGQTMKHCN-URHFKZAZHD
SMILES: CC(C)CN(CC[S-])CC[S-].COC(=O)C1C2CCC(N2CC[S-])CC1C3=CC=C(C=C3)Cl.O=[Tc+4]
Names:
MOLI000258
2-[(2S,3S)-3-(4-chlorophenyl)-2-methoxycarbonyl-8-azabicyclo[3.2.1]oct-8-yl]ethanethiolate; 2-(2-methylpropyl-(2-sulfidoethyl)amino)ethanethiolate; oxotechnetium
Registries:
PubChem CID 6326825
PubChem ID 247
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