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

Systemtic Name: trisodium 3-[1-[1-(3-methylheptoxy)-3-sulfonato-propan-2-yl]oxy-3-sulfonato-propan-2-yl]oxy-2-oxidanyl-propane-1-sulfonate Openeye Name: trisodium 2-hydroxy-3-[1-[[1-(3-methylheptoxymethyl)-2-sulfonato-ethoxy]methyl]-2-sulfonato-ethoxy]propane-1-sulfonate CAS Name: trisodium 2-hydroxy-3-[1-[1-(3-methylheptoxy)-3-sulfonatopropan-2-yl]oxy-3-sulfonatopropan-2-yl]oxy-1-propanesulfonate IUPAC Name: trisodium 2-hydroxy-3-[1-[1-(3-methylheptoxy)-3-sulfonatopropan-2-yl]oxy-3-sulfonatopropan-2-yl]oxypropane-1-sulfonate Traditional Name: trisodium 2-hydroxy-3-[1-[[1-(3-methylheptoxymethyl)-2-sulfonato-ethoxy]methyl]-2-sulfonato-ethoxy]propane-1-sulfonate Formula: C17H33Na3O13S3 MolecularWeight: 610.60043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCOCC(CS(=O)(=O)[O-])OCC(CS(=O)(=O)[O-])OCC(CS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCC(C)CCOCC(CS(=O)(=O)[O-])OCC(CS(=O)(=O)[O-])OCC(CS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H36O13S3.3Na/c1-3-4-5-14(2)6-7-28-9-16(12-32(22,23)24)30-10-17(13-33(25,26)27)29-8-15(18)11-31(19,20)21;;;/h14-18H,3-13H2,1-2H3,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3