3-(2-methylbutanoyloxy)propane-1-sulfonic acid

Systemtic Name: 3-(2-methylbutanoyloxy)propane-1-sulfonic acid Openeye Name: 3-(2-methylbutanoyloxy)propane-1-sulfonic acid CAS Name: 3-(2-methyl-1-oxobutoxy)-1-propanesulfonic acid IUPAC Name: 3-(2-methylbutanoyloxy)propane-1-sulfonic acid Traditional Name: 3-(2-methylbutanoyloxy)propane-1-sulfonic acid Formula: C8H16O5S MolecularWeight: 224.27464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCS(=O)(=O)O

Isomeric SMILES

CCC(C)C(=O)OCCCS(=O)(=O)O

InChI

InChI=1S/C8H16O5S/c1-3-7(2)8(9)13-5-4-6-14(10,11)12/h7H,3-6H2,1-2H3,(H,10,11,12)