3-bromanylcyclohexane-1-carboxylate; indium(3+)

Systemtic Name: 3-bromanylcyclohexane-1-carboxylate; indium(3+) Openeye Name: 3-bromocyclohexanecarboxylate; indium(3+) CAS Name: 3-bromo-1-cyclohexanecarboxylate; indium(3+) IUPAC Name: 3-bromocyclohexane-1-carboxylate; indium(3+) Traditional Name: 3-bromocyclohexanecarboxylate; indium(3+) Formula: C21H30Br3InO6 MolecularWeight: 732.9893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)Br)C(=O)[O-].C1CC(CC(C1)Br)C(=O)[O-].C1CC(CC(C1)Br)C(=O)[O-].[In+3]

Isomeric SMILES

C1CC(CC(C1)Br)C(=O)[O-].C1CC(CC(C1)Br)C(=O)[O-].C1CC(CC(C1)Br)C(=O)[O-].[In+3]

InChI

InChI=1S/3C7H11BrO2.In/c3*8-6-3-1-2-5(4-6)7(9)10;/h3*5-6H,1-4H2,(H,9,10);/q;;;+3/p-3