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

Systemtic Name: 3-bromanyl-4-heptoxy-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-heptoxy-5-methoxy-benzoic acid CAS Name: 3-bromo-4-heptoxy-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-heptoxy-5-methoxybenzoic acid Traditional Name: 3-bromo-4-heptoxy-5-methoxy-benzoic acid Formula: C15H21BrO4 MolecularWeight: 345.22884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1Br)C(=O)O)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1Br)C(=O)O)OC

InChI

InChI=1S/C15H21BrO4/c1-3-4-5-6-7-8-20-14-12(16)9-11(15(17)18)10-13(14)19-2/h9-10H,3-8H2,1-2H3,(H,17,18)