disodium 1-[4-methyl-2-(1-sulfopropoxy)phenoxy]propane-1-sulfonic acid

Systemtic Name: disodium 1-[4-methyl-2-(1-sulfopropoxy)phenoxy]propane-1-sulfonic acid Openeye Name: disodium 1-[4-methyl-2-(1-sulfopropoxy)phenoxy]propane-1-sulfonic acid CAS Name: disodium 1-[4-methyl-2-(1-sulfopropoxy)phenoxy]-1-propanesulfonic acid IUPAC Name: disodium 1-[4-methyl-2-(1-sulfopropoxy)phenoxy]propane-1-sulfonic acid Traditional Name: disodium 1-[4-methyl-2-(1-sulfopropoxy)phenoxy]propane-1-sulfonic acid Formula: C13H20Na2O8S2+2 MolecularWeight: 414.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=C(C=C(C=C1)C)OC(CC)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCC(OC1=C(C=C(C=C1)C)OC(CC)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C13H20O8S2.2Na/c1-4-12(22(14,15)16)20-10-7-6-9(3)8-11(10)21-13(5-2)23(17,18)19;;/h6-8,12-13H,4-5H2,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1