2-cyclohexylethanolate; ethylaluminum(2+); 2-phenoxyethanolate

Systemtic Name: 2-cyclohexylethanolate; ethylaluminum(2+); 2-phenoxyethanolate Openeye Name: 2-cyclohexylethanolate; ethylaluminum(2+); 2-phenoxyethanolate CAS Name: 2-cyclohexylethanolate; ethylaluminum(2+); 2-phenoxyethanolate IUPAC Name: 2-cyclohexylethanolate; ethylaluminum(2+); 2-phenoxyethanolate Traditional Name: 2-cyclohexylethanolate; ethylaluminum(2+); 2-phenoxyethanolate Formula: C18H29AlO3 MolecularWeight: 320.402598

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Descriptors Computed from Structure

Canonical SMILES:

CC[Al+2].C1CCC(CC1)CC[O-].C1=CC=C(C=C1)OCC[O-]

Isomeric SMILES

CC[Al+2].C1CCC(CC1)CC[O-].C1=CC=C(C=C1)OCC[O-]

InChI

InChI=1S/C8H9O2.C8H15O.C2H5.Al/c9-6-7-10-8-4-2-1-3-5-8;9-7-6-8-4-2-1-3-5-8;1-2;/h1-5H,6-7H2;8H,1-7H2;1H2,2H3;/q2*-1;;+2