sodium; 12-bromanyldodecane-1-sulfonic acid; 10-oxidanyldecane-1-sulfonate

Systemtic Name: sodium; 12-bromanyldodecane-1-sulfonic acid; 10-oxidanyldecane-1-sulfonate Openeye Name: sodium; 12-bromododecane-1-sulfonic acid; 10-hydroxydecane-1-sulfonate CAS Name: sodium; 12-bromo-1-dodecanesulfonic acid; 10-hydroxy-1-decanesulfonate IUPAC Name: sodium; 12-bromododecane-1-sulfonic acid; 10-hydroxydecane-1-sulfonate Traditional Name: sodium; 12-bromododecane-1-sulfonic acid; 10-hydroxydecane-1-sulfonate Formula: C22H46BrNaO7S2 MolecularWeight: 589.62021

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCBr)CCCCCS(=O)(=O)O.C(CCCCCS(=O)(=O)[O-])CCCCO.[Na+]

Isomeric SMILES

C(CCCCCCBr)CCCCCS(=O)(=O)O.C(CCCCCS(=O)(=O)[O-])CCCCO.[Na+]

InChI

InChI=1S/C12H25BrO3S.C10H22O4S.Na/c13-11-9-7-5-3-1-2-4-6-8-10-12-17(14,15)16;11-9-7-5-3-1-2-4-6-8-10-15(12,13)14;/h1-12H2,(H,14,15,16);11H,1-10H2,(H,12,13,14);/q;;+1/p-1