2-[4-(3-methylbutyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-methylbutyl)phenyl]ethanoic acid Openeye Name: 2-(4-isopentylphenyl)acetic acid CAS Name: 2-[4-(3-methylbutyl)phenyl]acetic acid IUPAC Name: 2-[4-(3-methylbutyl)phenyl]acetic acid Traditional Name: 2-(4-isoamylphenyl)acetic acid Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-10(2)3-4-11-5-7-12(8-6-11)9-13(14)15/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)