calcium 2-(hexadecanoylamino)ethanesulfonate

Systemtic Name: calcium 2-(hexadecanoylamino)ethanesulfonate Openeye Name: calcium 2-(hexadecanoylamino)ethanesulfonate CAS Name: calcium 2-(1-oxohexadecylamino)ethanesulfonate IUPAC Name: calcium 2-(hexadecanoylamino)ethanesulfonate Traditional Name: calcium 2-palmitamidoethanesulfonate Formula: C36H72CaN2O8S2 MolecularWeight: 765.17348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C18H37NO4S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24(21,22)23;/h2*2-17H2,1H3,(H,19,20)(H,21,22,23);/q;;+2/p-2