calcium 3-(butanoylamino)propane-1-sulfonate

Systemtic Name: calcium 3-(butanoylamino)propane-1-sulfonate Openeye Name: calcium 3-(butanoylamino)propane-1-sulfonate CAS Name: calcium 3-(1-oxobutylamino)-1-propanesulfonate IUPAC Name: calcium 3-(butanoylamino)propane-1-sulfonate Traditional Name: calcium 3-butyramidopropane-1-sulfonate Formula: C7H14CaNO4S+ MolecularWeight: 248.33336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCCCS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCC(=O)NCCCS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C7H15NO4S.Ca/c1-2-4-7(9)8-5-3-6-13(10,11)12;/h2-6H2,1H3,(H,8,9)(H,10,11,12);/q;+2/p-1