3-bromanyl-5-methoxy-4-(4-methoxy-4-oxidanylidene-butoxy)benzoic acid

Systemtic Name: 3-bromanyl-5-methoxy-4-(4-methoxy-4-oxidanylidene-butoxy)benzoic acid Openeye Name: 3-bromo-5-methoxy-4-(4-methoxy-4-oxo-butoxy)benzoic acid CAS Name: 3-bromo-5-methoxy-4-(4-methoxy-4-oxobutoxy)benzoic acid IUPAC Name: 3-bromo-5-methoxy-4-(4-methoxy-4-oxobutoxy)benzoic acid Traditional Name: 3-bromo-4-(4-keto-4-methoxy-butoxy)-5-methoxy-benzoic acid Formula: C13H15BrO6 MolecularWeight: 347.1586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCCC(=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCCC(=O)OC

InChI

InChI=1S/C13H15BrO6/c1-18-10-7-8(13(16)17)6-9(14)12(10)20-5-3-4-11(15)19-2/h6-7H,3-5H2,1-2H3,(H,16,17)