sulfo (2Z)-2-(bromanylmethylidene)pentanoate

Systemtic Name: sulfo (2Z)-2-(bromanylmethylidene)pentanoate Openeye Name: sulfo (2Z)-2-(bromomethylene)pentanoate CAS Name: (2Z)-2-(bromomethylidene)pentanoic acid sulfo ester IUPAC Name: sulfo (2Z)-2-(bromomethylidene)pentanoate Traditional Name: (Z)-3-bromo-2-propyl-acrylic acid sulfo ester Formula: C6H9BrO5S MolecularWeight: 273.10166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CBr)C(=O)OS(=O)(=O)O

Isomeric SMILES

CCC/C(=C/Br)/C(=O)OS(=O)(=O)O

InChI

InChI=1S/C6H9BrO5S/c1-2-3-5(4-7)6(8)12-13(9,10)11/h4H,2-3H2,1H3,(H,9,10,11)/b5-4-