3-methyl-2-(4-pentan-2-ylphenoxy)hexanoic acid

Systemtic Name: 3-methyl-2-(4-pentan-2-ylphenoxy)hexanoic acid Openeye Name: 3-methyl-2-[4-(1-methylbutyl)phenoxy]hexanoic acid CAS Name: 3-methyl-2-(4-pentan-2-ylphenoxy)hexanoic acid IUPAC Name: 3-methyl-2-(4-pentan-2-ylphenoxy)hexanoic acid Traditional Name: 3-methyl-2-[4-(1-methylbutyl)phenoxy]hexanoic acid Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=C(C=C1)OC(C(C)CCC)C(=O)O

Isomeric SMILES

CCCC(C)C1=CC=C(C=C1)OC(C(C)CCC)C(=O)O

InChI

InChI=1S/C18H28O3/c1-5-7-13(3)15-9-11-16(12-10-15)21-17(18(19)20)14(4)8-6-2/h9-14,17H,5-8H2,1-4H3,(H,19,20)