ethyl 4-butan-2-ylbenzoate

Systemtic Name: ethyl 4-butan-2-ylbenzoate Openeye Name: ethyl 4-sec-butylbenzoate CAS Name: 4-butan-2-ylbenzoic acid ethyl ester IUPAC Name: ethyl 4-butan-2-ylbenzoate Traditional Name: 4-sec-butylbenzoic acid ethyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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