ISDA: 4BVP

Structural Complex

Chemical ID: 6LL

IUPAC Name: TETRAKIS-(MU-OXO)-DECA-OXO-TRIMOLYBDENUM

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: Mo3 O14

Molecular weight: 511.812

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 17

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	1.9.2	pentakis(oxidanylidene)-[[1,1,1,3,3-pentakis(oxidanylidene)-2,4,5-trioxa-1$l^{9},3$l^{8}-dimolybdabicyclo[1.1.1]pentan-3-yl]oxy]molybdenum

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/3Mo.14O
InChIKey	InChI	1.03	VGYKEVLINQLXTN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=[Mo]12(=O)(O[Mo](=O)(=O)(=O)(O1)O2)O[Mo](=O)(=O)(=O)(=O)=O
SMILES	CACTVS	3.385	O=[Mo]12(=O)(O[Mo](=O)(=O)(=O)(O1)O2)O[Mo](=O)(=O)(=O)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	O=[Mo]12(=O)(=O)O[Mo](=O)(=O)(O1)(O2)O[Mo](=O)(=O)(=O)(=O)=O