4-tert-butyl-3-ethyl-benzoic acid

Systemtic Name: 4-tert-butyl-3-ethyl-benzoic acid Openeye Name: 4-tert-butyl-3-ethyl-benzoic acid CAS Name: 4-tert-butyl-3-ethylbenzoic acid IUPAC Name: 4-tert-butyl-3-ethylbenzoic acid Traditional Name: 4-tert-butyl-3-ethyl-benzoic acid Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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