2,4-dimethylcyclohexane-1-carboxylate; indium(3+)

Systemtic Name: 2,4-dimethylcyclohexane-1-carboxylate; indium(3+) Openeye Name: 2,4-dimethylcyclohexanecarboxylate; indium(3+) CAS Name: 2,4-dimethyl-1-cyclohexanecarboxylate; indium(3+) IUPAC Name: 2,4-dimethylcyclohexane-1-carboxylate; indium(3+) Traditional Name: 2,4-dimethylcyclohexanecarboxylate; indium(3+) Formula: C27H45InO6 MolecularWeight: 580.4606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C)C(=O)[O-].CC1CCC(C(C1)C)C(=O)[O-].CC1CCC(C(C1)C)C(=O)[O-].[In+3]

Isomeric SMILES

CC1CCC(C(C1)C)C(=O)[O-].CC1CCC(C(C1)C)C(=O)[O-].CC1CCC(C(C1)C)C(=O)[O-].[In+3]

InChI

InChI=1S/3C9H16O2.In/c3*1-6-3-4-8(9(10)11)7(2)5-6;/h3*6-8H,3-5H2,1-2H3,(H,10,11);/q;;;+3/p-3