calcium [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] octadecanoate

Systemtic Name: calcium [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] octadecanoate Openeye Name: calcium [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadecanoate CAS Name: calcium octadecanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: calcium [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadecanoate Traditional Name: calcium stearic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C23H46CaO5+2 MolecularWeight: 442.68634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO.[Ca+2]

InChI

InChI=1S/C23H46O5.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26;/h24-26H,2-21H2,1H3;/q;+2