ISDA: 5V4I

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 8WV

IUPAC Name: dichlorido[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]osmium

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccccc1

InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C10 H14 Cl2 Os

Molecular weight: 395.354

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 4

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	dichlorido[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]osmium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cl[Os]12345(Cl)[CH]6=[CH]1C4(C)=[CH]2[CH]3=C65C(C)C
InChI	InChI	1.06	InChI=1S/C10H14.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKey	InChI	1.06	LLTSEQQACAHCPR-UHFFFAOYSA-L
SMILES_CANONICAL	CACTVS	3.385	CC(C)C1=CC=C(C)C=C1.Cl[Os]Cl
SMILES	CACTVS	3.385	CC(C)C1=CC=C(C)C=C1.Cl[Os]Cl
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC(C)C12=[CH]3[Os]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)C12=[CH]3[Os]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl