WRT

Summary

Name:	TbXo4-OH
Formula:	C23 H29 N5 O5 Tb
Formal charge:	8
Formula weight:	614.432 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H31N5O5.Tb/c29-15-3-8-26-9-11-27(16-18-4-1-6-20(24-18)22(30)31)13-14-28(12-10-26)17-19-5-2-7-21(25-19)23(32)33;/h1-2,4-7,29H,3,8-17H2,(H,30,31)(H,32,33);/q;+10/p-2
InChIKey	InChI	1.06	JLGGHJSBQXXDKT-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.385	OCCCN1CCN2CCN(CC1)Cc3cccc4C(=O)O[Tb+3]5(OC(=O)c6cccc(C2)[n+]56)[n+]34
SMILES	CACTVS	3.385	OCCCN1CCN2CCN(CC1)Cc3cccc4C(=O)O[Tb+3]5(OC(=O)c6cccc(C2)[n+]56)[n+]34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2[n+]3c(c1)C(=O)O[Tb+3]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[N+]6(C2)CC[N+]7(CC9)CCCO
SMILES	OpenEye OEToolkits	2.0.7	c1cc2[n+]3c(c1)C(=O)O[Tb+3]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[N+]6(C2)CC[N+]7(CC9)CCCO