5-bromanyl-2-butoxy-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-bromanyl-2-butoxy-benzene-1,3-dicarboxylic acid Openeye Name: 5-bromo-2-butoxy-benzene-1,3-dicarboxylic acid CAS Name: 5-bromo-2-butoxybenzene-1,3-dicarboxylic acid IUPAC Name: 5-bromo-2-butoxybenzene-1,3-dicarboxylic acid Traditional Name: 5-bromo-2-butoxy-isophthalic acid Formula: C12H13BrO5 MolecularWeight: 317.13262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C(=O)O)Br)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C(=O)O)Br)C(=O)O

InChI

InChI=1S/C12H13BrO5/c1-2-3-4-18-10-8(11(14)15)5-7(13)6-9(10)12(16)17/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17)