3-bromanyl-5-methoxy-4-octoxy-benzoic acid

Systemtic Name: 3-bromanyl-5-methoxy-4-octoxy-benzoic acid Openeye Name: 3-bromo-5-methoxy-4-octoxy-benzoic acid CAS Name: 3-bromo-5-methoxy-4-octoxybenzoic acid IUPAC Name: 3-bromo-5-methoxy-4-octoxybenzoic acid Traditional Name: 3-bromo-5-methoxy-4-octoxy-benzoic acid Formula: C16H23BrO4 MolecularWeight: 359.25542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Br)C(=O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Br)C(=O)O)OC

InChI

InChI=1S/C16H23BrO4/c1-3-4-5-6-7-8-9-21-15-13(17)10-12(16(18)19)11-14(15)20-2/h10-11H,3-9H2,1-2H3,(H,18,19)