3-bromanyl-4-hexoxy-5-methoxy-benzoate

Systemtic Name: 3-bromanyl-4-hexoxy-5-methoxy-benzoate Openeye Name: 3-bromo-4-hexoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hexoxy-5-methoxybenzoate IUPAC Name: 3-bromo-4-hexoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hexoxy-5-methoxy-benzoate Formula: C14H18BrO4- MolecularWeight: 330.19432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OC

InChI

InChI=1S/C14H19BrO4/c1-3-4-5-6-7-19-13-11(15)8-10(14(16)17)9-12(13)18-2/h8-9H,3-7H2,1-2H3,(H,16,17)/p-1