sodium; benzene; 3-(3-sulfopropoxy)propane-1-sulfonic acid

Systemtic Name: sodium; benzene; 3-(3-sulfopropoxy)propane-1-sulfonic acid Openeye Name: sodium; benzene; 3-(3-sulfopropoxy)propane-1-sulfonic acid CAS Name: sodium; benzene; 3-(3-sulfopropoxy)-1-propanesulfonic acid IUPAC Name: sodium; benzene; 3-(3-sulfopropoxy)propane-1-sulfonic acid Traditional Name: sodium; benzene; 3-(3-sulfopropoxy)propane-1-sulfonic acid Formula: C12H19NaO7S2 MolecularWeight: 362.39483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O7S2.C6H5.Na/c7-14(8,9)5-1-3-13-4-2-6-15(10,11)12;1-2-4-6-5-3-1;/h1-6H2,(H,7,8,9)(H,10,11,12);1-5H;/q;-1;+1