sodium; 3-(3-sulfopropoxy)propane-1-sulfonic acid; 1,3,5-tris(bromanyl)benzene-6-ide

Systemtic Name: sodium; 3-(3-sulfopropoxy)propane-1-sulfonic acid; 1,3,5-tris(bromanyl)benzene-6-ide Openeye Name: sodium; 3-(3-sulfopropoxy)propane-1-sulfonic acid; 1,3,5-tribromobenzene-6-ide CAS Name: sodium; 3-(3-sulfopropoxy)-1-propanesulfonic acid; 1,3,5-tribromobenzene-6-ide IUPAC Name: sodium; 3-(3-sulfopropoxy)propane-1-sulfonic acid; 1,3,5-tribromobenzene-6-ide Traditional Name: sodium; 3-(3-sulfopropoxy)propane-1-sulfonic acid; 1,3,5-tribromobenzene-6-ide Formula: C12H16Br3NaO7S2 MolecularWeight: 599.08301

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C([C-]=C1Br)Br)Br.C(COCCCS(=O)(=O)O)CS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=C(C=C([C-]=C1Br)Br)Br.C(COCCCS(=O)(=O)O)CS(=O)(=O)O.[Na+]

InChI

InChI=1S/C6H2Br3.C6H14O7S2.Na/c7-4-1-5(8)3-6(9)2-4;7-14(8,9)5-1-3-13-4-2-6-15(10,11)12;/h1-2H;1-6H2,(H,7,8,9)(H,10,11,12);/q-1;;+1