3-bromanyl-5-methoxy-4-(3-phenylpropoxy)benzoate

Systemtic Name: 3-bromanyl-5-methoxy-4-(3-phenylpropoxy)benzoate Openeye Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)benzoate CAS Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)benzoate IUPAC Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)benzoate Traditional Name: 3-bromo-5-methoxy-4-(3-phenylpropoxy)benzoate Formula: C17H16BrO4- MolecularWeight: 364.21054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)[O-])Br)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)[O-])Br)OCCCC2=CC=CC=C2

InChI

InChI=1S/C17H17BrO4/c1-21-15-11-13(17(19)20)10-14(18)16(15)22-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,19,20)/p-1