5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate

Systemtic Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate Openeye Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoate CAS Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate IUPAC Name: 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate Traditional Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-valerate Formula: C15H21O3- MolecularWeight: 249.32544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)[O-]

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)/p-1