ISDA: 28MS

Structural Complex

Chemical ID: A1JZ3

IUPAC Name: Rhodium tetraacetate dihydrate

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: C8 H14 O10 Rh2

Molecular weight: 476.002

Hydrogen Bond Acceptor: 10

Hydrogen Bond Donor: 0

Rotatable Bonds: 4

Heavy Atoms: 20

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/4C2H4O2.2H2O.2Rh/c41-2(3)4;;;;/h41H3,(H,3,4);21H2;;/q;;;;;;2+5/p-6
InChIKey	InChI	1.06	NFYFJNIJPXGTTN-UHFFFAOYSA-H
SMILES_CANONICAL	CACTVS	3.385	CC1=[O+][Rh]234(=[Rh](O)(O1)(OC(=[O+]2)C)([O+]=C(C)O3)[O+]=C(C)O4)O
SMILES	CACTVS	3.385	CC1=[O+][Rh]234(=[Rh](O)(O1)(OC(=[O+]2)C)([O+]=C(C)O3)[O+]=C(C)O4)O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=[O+][Rh]234(=[Rh](O1)(OC(=[O+]2)C)([O+]=C(O3)C)([O+]=C(O4)C)O)O
SMILES	OpenEye OEToolkits	2.0.7	CC1=[O+][Rh]234(=[Rh](O1)(OC(=[O+]2)C)([O+]=C(O3)C)([O+]=C(O4)C)O)O