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

Systemtic Name: 3-[2-(hydroxymethyl)-3-methyl-4-oxidanyl-butoxy]propane-1-sulfonate Openeye Name: 3-[4-hydroxy-2-(hydroxymethyl)-3-methyl-butoxy]propane-1-sulfonate CAS Name: 3-[4-hydroxy-2-(hydroxymethyl)-3-methylbutoxy]-1-propanesulfonate IUPAC Name: 3-[4-hydroxy-2-(hydroxymethyl)-3-methylbutoxy]propane-1-sulfonate Traditional Name: 3-(4-hydroxy-3-methyl-2-methylol-butoxy)propane-1-sulfonate Formula: C9H19O6S- MolecularWeight: 255.30856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(CO)COCCCS(=O)(=O)[O-]

Isomeric SMILES

CC(CO)C(CO)COCCCS(=O)(=O)[O-]

InChI

InChI=1S/C9H20O6S/c1-8(5-10)9(6-11)7-15-3-2-4-16(12,13)14/h8-11H,2-7H2,1H3,(H,12,13,14)/p-1