ISDA: 6PL9

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: ORS

IUPAC Name: dichlorido[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [c-]1cccc1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C10 H15 Cl2 Rh

Molecular weight: 309.038

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 5

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	1,1-bis(chloranyl)-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane
ACDLabs	14.52	dichlorido[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC12C3(C)=C4(C)C5(C)=C1(C)[Rh]3452(Cl)Cl
InChI	InChI	1.06	InChI=1S/C10H15.2ClH.Rh/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H;/q;;;+2/p-2
InChIKey	InChI	1.06	QVLTVILSYOWFRM-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.385	CC1=C(C)C(C)([Rh](Cl)Cl)C(=C1C)C
SMILES	CACTVS	3.385	CC1=C(C)C(C)([Rh](Cl)Cl)C(=C1C)C
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC12=C3([Rh]145(C2(=C4(C53C)C)C)(Cl)Cl)C
SMILES	OpenEye OEToolkits	3.1.0.0	CC12=C3([Rh]145(C2(=C4(C53C)C)C)(Cl)Cl)C

Chemical Database Mapping

Database	Reference ID
PubChem	162405109
SureChEMBL	20608851,28202648