(3-methyl-5-oxidanylidene-cyclohexyl) benzoate; yttrium

Systemtic Name: (3-methyl-5-oxidanylidene-cyclohexyl) benzoate; yttrium Openeye Name: (3-methyl-5-oxo-cyclohexyl) benzoate; yttrium CAS Name: benzoic acid (3-methyl-5-oxocyclohexyl) ester; yttrium IUPAC Name: (3-methyl-5-oxocyclohexyl) benzoate; yttrium Traditional Name: benzoic acid (3-keto-5-methyl-cyclohexyl) ester; yttrium Formula: C14H15O3Y3- MolecularWeight: 497.98465

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC([CH-]1)OC(=O)C2=CC=CC=C2.[Y].[Y].[Y]

Isomeric SMILES

CC1CC(=O)CC([CH-]1)OC(=O)C2=CC=CC=C2.[Y].[Y].[Y]

InChI

InChI=1S/C14H15O3.3Y/c1-10-7-12(15)9-13(8-10)17-14(16)11-5-3-2-4-6-11;;;/h2-6,8,10,13H,7,9H2,1H3;;;/q-1;;;