sodium 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid

Systemtic Name: sodium 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid Openeye Name: sodium 5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoic acid CAS Name: sodium 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid IUPAC Name: sodium 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid Traditional Name: sodium 5-(2,5-dimethylphenoxy)-2,2-dimethyl-valeric acid Formula: C15H22NaO3+ MolecularWeight: 273.32315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O.[Na+]

InChI

InChI=1S/C15H22O3.Na/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);/q;+1