calcium 2-oxidanylpropanoyl octadecanoate

Systemtic Name: calcium 2-oxidanylpropanoyl octadecanoate Openeye Name: calcium 2-hydroxypropanoyl octadecanoate CAS Name: calcium octadecanoic acid (2-hydroxy-1-oxopropyl) ester IUPAC Name: calcium 2-hydroxypropanoyl octadecanoate Traditional Name: calcium stearic acid lactoyl ester Formula: C21H40CaO4+2 MolecularWeight: 396.6179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(=O)C(C)O.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(=O)C(C)O.[Ca+2]

InChI

InChI=1S/C21H40O4.Ca/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)25-21(24)19(2)22;/h19,22H,3-18H2,1-2H3;/q;+2