calcium octadecanoate sulfate

Systemtic Name: calcium octadecanoate sulfate Openeye Name: calcium octadecanoate sulfate CAS Name: calcium octadecanoate sulfate IUPAC Name: calcium octadecanoate sulfate Traditional Name: calcium stearate sulfate Formula: C18H35CaO6S- MolecularWeight: 419.6099

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].[O-]S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C18H36O2.Ca.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;1-5(2,3)4/h2-17H2,1H3,(H,19,20);;(H2,1,2,3,4)/q;+2;/p-3