aluminum 5-methyl-1,2-bis(2-methylpropyl)-2-propan-2-yl-cyclohexane-1-carboxylate

Systemtic Name: aluminum 5-methyl-1,2-bis(2-methylpropyl)-2-propan-2-yl-cyclohexane-1-carboxylate Openeye Name: aluminum 1,2-diisobutyl-2-isopropyl-5-methyl-cyclohexanecarboxylate CAS Name: aluminum 5-methyl-1,2-bis(2-methylpropyl)-2-propan-2-yl-1-cyclohexanecarboxylate IUPAC Name: aluminum 5-methyl-1,2-bis(2-methylpropyl)-2-propan-2-ylcyclohexane-1-carboxylate Traditional Name: aluminum 1,2-diisobutyl-2-isopropyl-5-methyl-cyclohexanecarboxylate Formula: C57H105AlO6 MolecularWeight: 913.421538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C19H36O2.Al/c3*1-13(2)10-18(15(5)6)9-8-16(7)12-19(18,17(20)21)11-14(3)4;/h3*13-16H,8-12H2,1-7H3,(H,20,21);/q;;;+3/p-3