1-[2-(hydroxymethyl)-3-methyl-4-oxidanyl-butoxy]propane-1-sulfonic acid

Systemtic Name: 1-[2-(hydroxymethyl)-3-methyl-4-oxidanyl-butoxy]propane-1-sulfonic acid Openeye Name: 1-[4-hydroxy-2-(hydroxymethyl)-3-methyl-butoxy]propane-1-sulfonic acid CAS Name: 1-[4-hydroxy-2-(hydroxymethyl)-3-methylbutoxy]-1-propanesulfonic acid IUPAC Name: 1-[4-hydroxy-2-(hydroxymethyl)-3-methylbutoxy]propane-1-sulfonic acid Traditional Name: 1-(4-hydroxy-3-methyl-2-methylol-butoxy)propane-1-sulfonic acid Formula: C9H20O6S MolecularWeight: 256.3165

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OCC(CO)C(C)CO)S(=O)(=O)O

Isomeric SMILES

CCC(OCC(CO)C(C)CO)S(=O)(=O)O

InChI

InChI=1S/C9H20O6S/c1-3-9(16(12,13)14)15-6-8(5-11)7(2)4-10/h7-11H,3-6H2,1-2H3,(H,12,13,14)