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: C14H28CaN2O8S2 MolecularWeight: 456.58872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H15NO4S.Ca/c2*1-2-4-7(9)8-5-3-6-13(10,11)12;/h2*2-6H2,1H3,(H,8,9)(H,10,11,12);/q;;+2/p-2