3-bromanyl-4-butoxy-5-ethoxy-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C(=O)O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C(=O)O)OCC

InChI

InChI=1S/C13H17BrO4/c1-3-5-6-18-12-10(14)7-9(13(15)16)8-11(12)17-4-2/h7-8H,3-6H2,1-2H3,(H,15,16)