3-bromanyl-4-butan-2-yloxy-5-ethoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-butan-2-yloxy-5-ethoxy-benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-sec-butoxy-benzoic acid CAS Name: 3-bromo-4-butan-2-yloxy-5-ethoxybenzoic acid IUPAC Name: 3-bromo-4-butan-2-yloxy-5-ethoxybenzoic acid Traditional Name: 3-bromo-5-ethoxy-4-sec-butoxy-benzoic acid Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C(=O)O)OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Br)C(=O)O)OCC

InChI

InChI=1S/C13H17BrO4/c1-4-8(3)18-12-10(14)6-9(13(15)16)7-11(12)17-5-2/h6-8H,4-5H2,1-3H3,(H,15,16)