5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoic acid

Systemtic Name: 5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoic acid Openeye Name: 5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoic acid CAS Name: 5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoic acid IUPAC Name: 5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoic acid Traditional Name: 5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)valeric acid Formula: C15H22O3 MolecularWeight: 256.370351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O

Isomeric SMILES

[2H]C([2H])([2H])C(CCCOC1=C(C=CC(=C1)C)C)(C(=O)O)C([2H])([2H])[2H]

InChI

InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)/i3D3,4D3