ISDA: 9FMY

Structural Complex

Chemical ID: A1IE3

IUPAC Name: bis(maltolato)oxidovanadium(IV)

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: C14 H27 N2 O14 V2

Molecular weight: 549.252

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	[(2~{Z})-2-[(2~{Z})-2-[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]iminoethylidene]-5-$l^{1}-oxidanyl-8-oxidanyl-7-[(~{E})-2-oxidanylethenyl]-5-oxidanylidene-1,6-dioxa-4,9-dioxonia-5$l^{7}-vanadaspiro[4.4]nona-3,8-dien-3-yl]oxy-tris($l^{1}-oxidanyl)-oxidanylidene-vanadium

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C10H16N2O4.C4H5O4.4H2O.2O.2V/c11-8(7-13)3-1-2-5-12-6-4-9(14)10(15)16;5-2-1-3(6)4(7)8;;;;;;;;/h4,6-8,14H,1-3,5,11H2,(H,15,16);1-3,5H,(H,7,8);4*1H2;;;;/q;-1;;;;;;;-2;+1/p-2/b9-4-,12-6-;2-1+;;;;;;;;/t8-;3-;;;;;;;;/m01......../s1
InChIKey	InChI	1.06	GCNIXXCYLGMWLN-HLUZNFTOSA-L
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O.N[C@@H](CCCCN=C\C=C(O[V](=O)O[C@H](\C=C\O)C(=[O--])O)\C(=[O--])O[V]=O)C=O
SMILES	CACTVS	3.385	O.O.O.O.N[CH](CCCCN=CC=C(O[V](=O)O[CH](C=CO)C(=[O--])O)C(=[O--])O[V]=O)C=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C(CC/N=C\C=C/1\C(=[O-2][V]2(=O)(O1)([O-2]=C(C(O2)/C=C/O)O)[OH2])O[V](=O)([OH2])([OH2])[OH2])C[C@@H](C=O)N
SMILES	OpenEye OEToolkits	3.1.0.0	C(CCN=CC=C1C(=[O-2][V]2(=O)(O1)([O-2]=C(C(O2)C=CO)O)[OH2])O[V](=O)([OH2])([OH2])[OH2])CC(C=O)N