3-bromanyl-5-methoxy-4-pentoxy-benzoate

Systemtic Name: 3-bromanyl-5-methoxy-4-pentoxy-benzoate Openeye Name: 3-bromo-5-methoxy-4-pentoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-pentoxybenzoate IUPAC Name: 3-bromo-5-methoxy-4-pentoxybenzoate Traditional Name: 4-amoxy-3-bromo-5-methoxy-benzoate Formula: C13H16BrO4- MolecularWeight: 316.16774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)C(=O)[O-])OC

InChI

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