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calcium 2-(hexadecanoylamino)ethanesulfonic acid

calcium 2-(hexadecanoylamino)ethanesulfonic acid

Systemtic Name:calcium 2-(hexadecanoylamino)ethanesulfonic acid
Openeye Name:calcium 2-(hexadecanoylamino)ethanesulfonic acid
CAS Name:calcium 2-(1-oxohexadecylamino)ethanesulfonic acid
IUPAC Name:calcium 2-(hexadecanoylamino)ethanesulfonic acid
Traditional Name:calcium 2-palmitamidoethanesulfonic acid
Formula: C18H37CaNO4S+2
MolecularWeight: 403.63368
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H37NO4S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24(21,22)23;/h2-17H2,1H3,(H,19,20)(H,21,22,23);/q;+2


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