calcium 2-oxidanylpropanoyl (E)-octadec-9-enoate

Systemtic Name: calcium 2-oxidanylpropanoyl (E)-octadec-9-enoate Openeye Name: calcium 2-hydroxypropanoyl (E)-octadec-9-enoate CAS Name: calcium (E)-9-octadecenoic acid (2-hydroxy-1-oxopropyl) ester IUPAC Name: calcium 2-hydroxypropanoyl (E)-octadec-9-enoate Traditional Name: calcium (E)-octadec-9-enoic acid lactoyl ester Formula: C21H38CaO4+2 MolecularWeight: 394.60202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38O4.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;/h10-11,19,22H,3-9,12-18H2,1-2H3;/q;+2/b11-10+;