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

Systemtic Name: 4-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)butane-1-sulfonic acid Openeye Name: 4-(5-bromo-1-oxo-isoindolin-2-yl)butane-1-sulfonic acid CAS Name: 4-(6-bromo-3-oxo-1H-isoindol-2-yl)-1-butanesulfonic acid IUPAC Name: 4-(6-bromo-3-oxo-1H-isoindol-2-yl)butane-1-sulfonic acid Traditional Name: 4-(5-bromo-1-keto-isoindolin-2-yl)butane-1-sulfonic acid Formula: C12H14BrNO4S MolecularWeight: 348.21286

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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)