3-[1-[1-(3-methylheptoxy)-3-sulfo-propan-2-yl]oxy-3-sulfo-propan-2-yl]oxy-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[1-[1-(3-methylheptoxy)-3-sulfo-propan-2-yl]oxy-3-sulfo-propan-2-yl]oxy-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[1-[[1-(3-methylheptoxymethyl)-2-sulfo-ethoxy]methyl]-2-sulfo-ethoxy]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[1-[1-(3-methylheptoxy)-3-sulfopropan-2-yl]oxy-3-sulfopropan-2-yl]oxy-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[1-[1-(3-methylheptoxy)-3-sulfopropan-2-yl]oxy-3-sulfopropan-2-yl]oxypropane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[1-[[1-(3-methylheptoxymethyl)-2-sulfo-ethoxy]methyl]-2-sulfo-ethoxy]propane-1-sulfonic acid Formula: C17H36O13S3 MolecularWeight: 544.65494

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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

Isomeric SMILES

CCCCC(C)CCOCC(CS(=O)(=O)O)OCC(CS(=O)(=O)O)OCC(CS(=O)(=O)O)O

InChI

InChI=1S/C17H36O13S3/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)