calcium 3-(pentanoylamino)propane-1-sulfonate

Systemtic Name: calcium 3-(pentanoylamino)propane-1-sulfonate Openeye Name: calcium 3-(pentanoylamino)propane-1-sulfonate CAS Name: calcium 3-(1-oxopentylamino)-1-propanesulfonate IUPAC Name: calcium 3-(pentanoylamino)propane-1-sulfonate Traditional Name: calcium 3-(valerylamino)propane-1-sulfonate Formula: C16H32CaN2O8S2 MolecularWeight: 484.64188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H17NO4S.Ca/c2*1-2-3-5-8(10)9-6-4-7-14(11,12)13;/h2*2-7H2,1H3,(H,9,10)(H,11,12,13);/q;;+2/p-2