calcium 4-octadecoxy-4-oxidanylidene-butanoate

Systemtic Name: calcium 4-octadecoxy-4-oxidanylidene-butanoate Openeye Name: calcium 4-octadecoxy-4-oxo-butanoate CAS Name: calcium 4-octadecoxy-4-oxobutanoate IUPAC Name: calcium 4-octadecoxy-4-oxobutanoate Traditional Name: calcium 4-keto-4-stearyloxy-butyrate Formula: C22H41CaO4+ MolecularWeight: 409.63654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)[O-].[Ca+2]

InChI

InChI=1S/C22H42O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h2-20H2,1H3,(H,23,24);/q;+2/p-1