5-bromanyl-4,6-diethyl-2-oxidanyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-bromanyl-4,6-diethyl-2-oxidanyl-benzene-1,3-dicarboxylic acid Openeye Name: 5-bromo-4,6-diethyl-2-hydroxy-benzene-1,3-dicarboxylic acid CAS Name: 5-bromo-4,6-diethyl-2-hydroxybenzene-1,3-dicarboxylic acid IUPAC Name: 5-bromo-4,6-diethyl-2-hydroxybenzene-1,3-dicarboxylic acid Traditional Name: 5-bromo-4,6-diethyl-2-hydroxy-isophthalic acid Formula: C12H13BrO5 MolecularWeight: 317.13262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1Br)CC)C(=O)O)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=C(C(=C1Br)CC)C(=O)O)O)C(=O)O

InChI

InChI=1S/C12H13BrO5/c1-3-5-7(11(15)16)10(14)8(12(17)18)6(4-2)9(5)13/h14H,3-4H2,1-2H3,(H,15,16)(H,17,18)