VSU

Summary

Name:	tris-[(1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)]-V(V)3O7
Formula:	C24 H30 N3 O13 V3
Formal charge:	13
Formula weight:	721.332 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/3C8H11NO2.H2O.6O.3V/c31-3-6-8(11)7(10)4-5-9(6)2;;;;;;;;;;/h34-5,11H,3H2,1-2H3;1H2;;;;;;;;;/q;;;;;;;;;;2*+5;+6/p-3
InChIKey	InChI	1.06	LBUGGDQMXYMIIZ-UHFFFAOYSA-K
SMILES_CANONICAL	CACTVS	3.385	O.CCC1=C2O[V+5]3(=O)(O[V+5]4(=O)O[V+5]5(=O)(OC6=C(CC)N(C)C=CC6=[O-]5)(O3)[O]4=C7C=C[N+](C)C(=C7[O-])CC)[O-]=C2C=CN1C
SMILES	CACTVS	3.385	O.CCC1=C2O[V+5]3(=O)(O[V+5]4(=O)O[V+5]5(=O)(OC6=C(CC)N(C)C=CC6=[O-]5)(O3)[O]4=C7C=C[N+](C)C(=C7[O-])CC)[O-]=C2C=CN1C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC1=C2C(=[O-][V+5]3(=O)(O2)O[V+5]45(=O)([O-]C6=C([N+](C=CC6=O4[V+5]7(=O)(O3)(O5)[O-]=C8C=CN(C(=C8O7)CC)C)C)CC)[O])C=CN1C
SMILES	OpenEye OEToolkits	2.0.7	CCC1=C2C(=[O-][V+5]3(=O)(O2)O[V+5]45(=O)([O-]C6=C([N+](C=CC6=O4[V+5]7(=O)(O3)(O5)[O-]=C8C=CN(C(=C8O7)CC)C)C)CC)[O])C=CN1C