disodium 2-[1-(6-methylheptoxy)-3-sulfonato-propan-2-yl]oxy-2-oxidanyl-propane-1-sulfonate

Systemtic Name: disodium 2-[1-(6-methylheptoxy)-3-sulfonato-propan-2-yl]oxy-2-oxidanyl-propane-1-sulfonate Openeye Name: disodium 2-hydroxy-2-[1-(6-methylheptoxymethyl)-2-sulfonato-ethoxy]propane-1-sulfonate CAS Name: disodium 2-hydroxy-2-[1-(6-methylheptoxy)-3-sulfonatopropan-2-yl]oxy-1-propanesulfonate IUPAC Name: disodium 2-hydroxy-2-[1-(6-methylheptoxy)-3-sulfonatopropan-2-yl]oxypropane-1-sulfonate Traditional Name: disodium 2-hydroxy-2-[1-(6-methylheptoxymethyl)-2-sulfonato-ethoxy]propane-1-sulfonate Formula: C14H28Na2O9S2 MolecularWeight: 450.47626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOCC(CS(=O)(=O)[O-])OC(C)(CS(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC(C)CCCCCOCC(CS(=O)(=O)[O-])OC(C)(CS(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C14H30O9S2.2Na/c1-12(2)7-5-4-6-8-22-9-13(10-24(16,17)18)23-14(3,15)11-25(19,20)21;;/h12-13,15H,4-11H2,1-3H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2