calcium 3-(3-methylbutanoylamino)propane-1-sulfonate

Systemtic Name: calcium 3-(3-methylbutanoylamino)propane-1-sulfonate Openeye Name: calcium 3-(3-methylbutanoylamino)propane-1-sulfonate CAS Name: calcium 3-[(3-methyl-1-oxobutyl)amino]-1-propanesulfonate IUPAC Name: calcium 3-(3-methylbutanoylamino)propane-1-sulfonate Traditional Name: calcium 3-(isovalerylamino)propane-1-sulfonate Formula: C8H16CaNO4S+ MolecularWeight: 262.35994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17NO4S.Ca/c1-7(2)6-8(10)9-4-3-5-14(11,12)13;/h7H,3-6H2,1-2H3,(H,9,10)(H,11,12,13);/q;+2/p-1