sodium 2-bromanylheptane-1-sulfonate

Systemtic Name: sodium 2-bromanylheptane-1-sulfonate Openeye Name: sodium 2-bromoheptane-1-sulfonate CAS Name: sodium 2-bromo-1-heptanesulfonate IUPAC Name: sodium 2-bromoheptane-1-sulfonate Traditional Name: sodium 2-bromoheptane-1-sulfonate Formula: C7H14BrNaO3S MolecularWeight: 281.14303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CS(=O)(=O)[O-])Br.[Na+]

Isomeric SMILES

CCCCCC(CS(=O)(=O)[O-])Br.[Na+]

InChI

InChI=1S/C7H15BrO3S.Na/c1-2-3-4-5-7(8)6-12(9,10)11;/h7H,2-6H2,1H3,(H,9,10,11);/q;+1/p-1