methyl 2-methyl-4-phenyl-butanoate; yttrium(3+)

Systemtic Name: methyl 2-methyl-4-phenyl-butanoate; yttrium(3+) Openeye Name: methyl 2-methyl-4-phenyl-butanoate; yttrium(3+) CAS Name: 2-methyl-4-phenylbutanoic acid methyl ester; yttrium(3+) IUPAC Name: methyl 2-methyl-4-phenylbutanoate; yttrium(3+) Traditional Name: 2-methyl-4-phenyl-butyric acid methyl ester; yttrium(3+) Formula: C12H15O2Y+2 MolecularWeight: 280.15215

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=[C-]C=C1)C(=O)OC.[Y+3]

Isomeric SMILES

CC(CCC1=CC=[C-]C=C1)C(=O)OC.[Y+3]

InChI

InChI=1S/C12H15O2.Y/c1-10(12(13)14-2)8-9-11-6-4-3-5-7-11;/h4-7,10H,8-9H2,1-2H3;/q-1;+3