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calcium 3-(pentanoylamino)propane-1-sulfonate

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: C8H16CaNO4S+
MolecularWeight: 262.35994
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H17NO4S.Ca/c1-2-3-5-8(10)9-6-4-7-14(11,12)13;/h2-7H2,1H3,(H,9,10)(H,11,12,13);/q;+2/p-1


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