zinc 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonyl]cyclohexane-1-carboxylate

Systemtic Name: zinc 2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonyl]cyclohexane-1-carboxylate Openeye Name: zinc 2-(1,1,4,4-tetramethyltetralin-6-carbonyl)cyclohexanecarboxylate CAS Name: zinc 2-[oxo-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]-1-cyclohexanecarboxylate IUPAC Name: zinc 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)cyclohexane-1-carboxylate Traditional Name: zinc 2-(1,1,4,4-tetramethyltetralin-6-carbonyl)cyclohexanecarboxylate Formula: C44H58O6Zn MolecularWeight: 748.33672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=O)C3CCCCC3C(=O)[O-])(C)C)C.CC1(CCC(C2=C1C=CC(=C2)C(=O)C3CCCCC3C(=O)[O-])(C)C)C.[Zn+2]

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=O)C3CCCCC3C(=O)[O-])(C)C)C.CC1(CCC(C2=C1C=CC(=C2)C(=O)C3CCCCC3C(=O)[O-])(C)C)C.[Zn+2]

InChI

InChI=1S/2C22H30O3.Zn/c2*1-21(2)11-12-22(3,4)18-13-14(9-10-17(18)21)19(23)15-7-5-6-8-16(15)20(24)25;/h2*9-10,13,15-16H,5-8,11-12H2,1-4H3,(H,24,25);/q;;+2/p-2