4-(3-methylpentan-3-yl)benzoic acid

Systemtic Name: 4-(3-methylpentan-3-yl)benzoic acid Openeye Name: 4-(1-ethyl-1-methyl-propyl)benzoic acid CAS Name: 4-(3-methylpentan-3-yl)benzoic acid IUPAC Name: 4-(3-methylpentan-3-yl)benzoic acid Traditional Name: 4-(1-ethyl-1-methyl-propyl)benzoic acid Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-4-13(3,5-2)11-8-6-10(7-9-11)12(14)15/h6-9H,4-5H2,1-3H3,(H,14,15)