2,3-bis(oxidanyl)benzaldehyde; methyl 4-bromanylbutanoate

Systemtic Name: 2,3-bis(oxidanyl)benzaldehyde; methyl 4-bromanylbutanoate Openeye Name: 2,3-dihydroxybenzaldehyde; methyl 4-bromobutanoate CAS Name: 4-bromobutanoic acid methyl ester; 2,3-dihydroxybenzaldehyde IUPAC Name: 2,3-dihydroxybenzaldehyde; methyl 4-bromobutanoate Traditional Name: 4-bromobutyric acid methyl ester; 2,3-dihydroxybenzaldehyde Formula: C12H15BrO5 MolecularWeight: 319.1485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCBr.C1=CC(=C(C(=C1)O)O)C=O

Isomeric SMILES

COC(=O)CCCBr.C1=CC(=C(C(=C1)O)O)C=O

InChI

InChI=1S/C7H6O3.C5H9BrO2/c8-4-5-2-1-3-6(9)7(5)10;1-8-5(7)3-2-4-6/h1-4,9-10H;2-4H2,1H3