2-[1-(6-methylheptoxy)-3-sulfo-propan-2-yl]oxy-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 2-[1-(6-methylheptoxy)-3-sulfo-propan-2-yl]oxy-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-2-[1-(6-methylheptoxymethyl)-2-sulfo-ethoxy]propane-1-sulfonic acid CAS Name: 2-hydroxy-2-[1-(6-methylheptoxy)-3-sulfopropan-2-yl]oxy-1-propanesulfonic acid IUPAC Name: 2-hydroxy-2-[1-(6-methylheptoxy)-3-sulfopropan-2-yl]oxypropane-1-sulfonic acid Traditional Name: 2-hydroxy-2-[1-(6-methylheptoxymethyl)-2-sulfo-ethoxy]propane-1-sulfonic acid Formula: C14H30O9S2 MolecularWeight: 406.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOCC(CS(=O)(=O)O)OC(C)(CS(=O)(=O)O)O

Isomeric SMILES

CC(C)CCCCCOCC(CS(=O)(=O)O)OC(C)(CS(=O)(=O)O)O

InChI

InChI=1S/C14H30O9S2/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)