4-[4-(3-methylbutyl)phenoxy]benzoic acid

Systemtic Name: 4-[4-(3-methylbutyl)phenoxy]benzoic acid Openeye Name: 4-(4-isopentylphenoxy)benzoic acid CAS Name: 4-[4-(3-methylbutyl)phenoxy]benzoic acid IUPAC Name: 4-[4-(3-methylbutyl)phenoxy]benzoic acid Traditional Name: 4-(4-isoamylphenoxy)benzoic acid Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H20O3/c1-13(2)3-4-14-5-9-16(10-6-14)21-17-11-7-15(8-12-17)18(19)20/h5-13H,3-4H2,1-2H3,(H,19,20)