ISDA: 9RGI

Structural Complex

Chemical ID: A1JGJ

IUPAC Name: Polyoxidovanadate complex

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: O36 V15

Molecular weight: 1340.101

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/36O.15V
InChIKey	InChI	1.06	MLPKQJKZYNCEKM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=[V]1O[V](=O)O[V]2(=O)O[V]3(=O)O[V](=O)(O1)O[V]4(=O)O[V](=O)O[V](=O)(O[V]5(=O)O[V](=O)(O4)O5)O[V]6(=O)O[V](=O)(O3)O[V](=O)(O2)O[V]7(=O)O[V](=O)(O6)O7
SMILES	CACTVS	3.385	O=[V]1O[V](=O)O[V]2(=O)O[V]3(=O)O[V](=O)(O1)O[V]4(=O)O[V](=O)O[V](=O)(O[V]5(=O)O[V](=O)(O4)O5)O[V]6(=O)O[V](=O)(O3)O[V](=O)(O2)O[V]7(=O)O[V](=O)(O6)O7
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	O=[V]123O[V]45(=O)O6[V]78(=O)O1[V]91(=O)O7[V]7%10(=O)O9[V]9%11(=O)O7[V]7%12(=O)O9[V]9%13(=O)O%11[V]%11(=O)(O12)O3[V]1(=O)(O%119)O4[V]23(=O)O1[V]1(=O)(O%13)O7[V]4(=O)(O12)O%12[V]1(=O)(O%10)O8[V]6(=O)(O53)O14
SMILES	OpenEye OEToolkits	2.0.7	O=[V]123O[V]45(=O)O6[V]78(=O)O1[V]91(=O)O7[V]7%10(=O)O9[V]9%11(=O)O7[V]7%12(=O)O9[V]9%13(=O)O%11[V]%11(=O)(O12)O3[V]1(=O)(O%119)O4[V]23(=O)O1[V]1(=O)(O%13)O7[V]4(=O)(O12)O%12[V]1(=O)(O%10)O8[V]6(=O)(O53)O14