ISDA: 6A71

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 9UX

IUPAC Name: bis(oxido)di-mu-sulfidodimolybdenum

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [S-2]1[Mo][S-2][Mo]1

InChI: InChI=1S/2Mo.2S/q;;2*-2

InChI Key: DHPUCVQENLGSFL-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: Mo2 O2 S2

Molecular weight: 288.009

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 6

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	bis(oxido)di-mu-sulfidodimolybdenum
OpenEye OEToolkits	3.1.0.0	1,3-dithia-2$l^{4},4$l^{4}-dimolybdacyclobutane 2,4-dioxide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=[Mo]1S[Mo](=O)S1
InChI	InChI	1.06	InChI=1S/2Mo.2O.2S
InChIKey	InChI	1.06	APXWDZMJEVZWJP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=[Mo]1S[Mo](=O)S1
SMILES	CACTVS	3.385	O=[Mo]1S[Mo](=O)S1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	O=[Mo]1S[Mo](=O)S1
SMILES	OpenEye OEToolkits	3.1.0.0	O=[Mo]1S[Mo](=O)S1