[3-(hydroxymethyl)-5-methyl-3-oxidanyl-cyclohexyl] benzoate; yttrium

Systemtic Name: [3-(hydroxymethyl)-5-methyl-3-oxidanyl-cyclohexyl] benzoate; yttrium Openeye Name: [3-hydroxy-3-(hydroxymethyl)-5-methyl-cyclohexyl] benzoate; yttrium CAS Name: benzoic acid [3-hydroxy-3-(hydroxymethyl)-5-methylcyclohexyl] ester; yttrium IUPAC Name: [3-hydroxy-3-(hydroxymethyl)-5-methylcyclohexyl] benzoate; yttrium Traditional Name: benzoic acid (3-hydroxy-5-methyl-3-methylol-cyclohexyl) ester; yttrium Formula: C15H19O4Y3- MolecularWeight: 530.02651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19O4.3Y/c1-11-7-13(9-15(18,8-11)10-16)19-14(17)12-5-3-2-4-6-12;;;/h2-7,11,13,16,18H,8-10H2,1H3;;;/q-1;;;