4-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)butane-1-sulfonate

Systemtic Name: 4-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)butane-1-sulfonate Openeye Name: 4-(5-bromo-1-oxo-isoindolin-2-yl)butane-1-sulfonate CAS Name: 4-(6-bromo-3-oxo-1H-isoindol-2-yl)-1-butanesulfonate IUPAC Name: 4-(6-bromo-3-oxo-1H-isoindol-2-yl)butane-1-sulfonate Traditional Name: 4-(5-bromo-1-keto-isoindolin-2-yl)butane-1-sulfonate Formula: C12H13BrNO4S- MolecularWeight: 347.20492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)C(=O)N1CCCCS(=O)(=O)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)C(=O)N1CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H14BrNO4S/c13-10-3-4-11-9(7-10)8-14(12(11)15)5-1-2-6-19(16,17)18/h3-4,7H,1-2,5-6,8H2,(H,16,17,18)/p-1