1,2-bis(bromanyl)cyclohexane-1-carboxylate; indium(3+)

Systemtic Name: 1,2-bis(bromanyl)cyclohexane-1-carboxylate; indium(3+) Openeye Name: 1,2-dibromocyclohexanecarboxylate; indium(3+) CAS Name: 1,2-dibromo-1-cyclohexanecarboxylate; indium(3+) IUPAC Name: 1,2-dibromocyclohexane-1-carboxylate; indium(3+) Traditional Name: 1,2-dibromocyclohexanecarboxylate; indium(3+) Formula: C21H27Br6InO6 MolecularWeight: 969.67748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)Br)(C(=O)[O-])Br.C1CCC(C(C1)Br)(C(=O)[O-])Br.C1CCC(C(C1)Br)(C(=O)[O-])Br.[In+3]

Isomeric SMILES

C1CCC(C(C1)Br)(C(=O)[O-])Br.C1CCC(C(C1)Br)(C(=O)[O-])Br.C1CCC(C(C1)Br)(C(=O)[O-])Br.[In+3]

InChI

InChI=1S/3C7H10Br2O2.In/c3*8-5-3-1-2-4-7(5,9)6(10)11;/h3*5H,1-4H2,(H,10,11);/q;;;+3/p-3