calcium 3-acetamidopentane-1-sulfonate

Systemtic Name: calcium 3-acetamidopentane-1-sulfonate Openeye Name: calcium 3-acetamidopentane-1-sulfonate CAS Name: calcium 3-acetamido-1-pentanesulfonate IUPAC Name: calcium 3-acetamidopentane-1-sulfonate Traditional Name: calcium 3-acetamidopentane-1-sulfonate Formula: C14H28CaN2O8S2 MolecularWeight: 456.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCS(=O)(=O)[O-])NC(=O)C.CCC(CCS(=O)(=O)[O-])NC(=O)C.[Ca+2]

Isomeric SMILES

CCC(CCS(=O)(=O)[O-])NC(=O)C.CCC(CCS(=O)(=O)[O-])NC(=O)C.[Ca+2]

InChI

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